NP-MRD: Showing NP-Card for (1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate (NP0285406)

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Record Information

Version

2.0

Created at

2022-09-09 13:34:06 UTC

Updated at

2022-09-09 13:34:06 UTC

NP-MRD ID

NP0285406

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate

Description

(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]Pentadecan]-11'-en-9'-yl pyridine-3-carboxylate belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-Abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] Propellane ring system. (1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate is found in Prumnopitys andina. Based on a literature review very few articles have been published on (1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]Pentadecan]-11'-en-9'-yl pyridine-3-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092215342D          

 51 56  0  0  1  0            999 V2000
    0.3370    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456    1.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    1.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7104    0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0498    0.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2849    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330   -0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804   -1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -0.5839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4685   -0.3243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9693   -0.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6519   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337   -1.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    0.3971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7224    0.1719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2971   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4972   -0.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3144    0.7465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1080    0.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6999    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    1.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4936    0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0855    1.4453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8838    2.2453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2647    1.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8745    0.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0809    0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    1.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271    1.1971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    1.6172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0680    2.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    2.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6463    2.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    3.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2338    4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    4.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473    5.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    5.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  1  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 18 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 43 48  1  0  0  0  0
 12 49  1  0  0  0  0
  6 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
M  END

     RDKit          3D

 97102  0  0  0  0  0  0  0  0999 V2000
   -6.4343    2.1981   -1.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1157    1.5947   -1.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4252    1.9698   -2.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6492    0.6268   -0.8196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.0400   -0.9232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4598   -1.4930   -0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5357   -1.9535   -2.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1035   -1.1926   -3.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -3.3045   -2.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833   -4.0306   -3.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -3.7441   -1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454   -3.2291    0.1540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9379   -2.3666    0.6617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2383   -3.1882    0.4980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988   -3.6312    1.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2007   -4.4775    1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6612   -3.3104    2.7124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748   -1.0985   -0.0783 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8263   -0.9832   -0.4286 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3034   -1.0520   -1.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4297   -2.1153   -0.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6237   -0.2207    0.5497 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9389   -0.0621   -0.0125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711   -0.5726    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -1.2158    1.6632 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4429   -0.4350    0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    0.6611    0.7402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4667    1.8930    0.5237 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106    0.7724    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2396   -0.2020   -0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5491   -0.0758   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6428    2.0394    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3533    1.9087    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6472    4.9679   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871    6.3414   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329    7.0182    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1034    6.3856    1.6184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552    5.0453    1.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4353   -2.6119    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -2.2695    1.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3855   -3.7190   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4879    3.2770   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2192    1.7138   -2.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8049    2.0806   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157    0.3500   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4798   -0.4124   -3.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1744   -0.9320   -3.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -1.9471   -4.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -4.8716   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8575   -3.4765   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921   -4.1150    0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0139   -2.2331    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -4.1435    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4705   -4.3984    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7849   -0.7972    1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9673   -1.3991    0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4716   -0.3381   -1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7931    2.6787    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2820    1.2179   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    2.9516    0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8934   -4.6812   -0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1112   -3.9829    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  1  0
 15 17  2  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  2  0
  9  7  1  0
  7  8  1  0
  7  6  2  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  5 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 39 37  1  0
 37 38  1  1
 37 36  1  0
 36 35  1  0
 35 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 22 19  1  0
 19 20  1  0
 20 21  1  0
 19 18  1  0
  6 49  1  0
 49 50  1  0
 49 51  1  0
 18 13  1  0
 49 12  1  0
 48 43  1  0
 18 37  1  0
 34 29  1  0
 19 21  1  1
 16 63  1  0
 16 64  1  0
 16 65  1  0
 13 62  1  1
 12 61  1  1
 11 59  1  0
 11 60  1  0
  8 56  1  0
  8 57  1  0
  8 58  1  0
  5 55  1  6
  1 52  1  0
  1 53  1  0
  1 54  1  0
 39 87  1  1
 44 88  1  0
 45 89  1  0
 46 90  1  0
 48 91  1  0
 38 84  1  0
 38 85  1  0
 38 86  1  0
 36 82  1  0
 36 83  1  0
 35 80  1  0
 35 81  1  0
 22 69  1  1
 26 70  1  0
 26 71  1  0
 27 72  1  1
 28 73  1  0
 28 74  1  0
 30 75  1  0
 31 76  1  0
 32 77  1  0
 33 78  1  0
 34 79  1  0
 20 67  1  0
 20 68  1  0
 18 66  1  6
 50 92  1  0
 50 93  1  0
 50 94  1  0
 51 95  1  0
 51 96  1  0
 51 97  1  0
M  END


  Mrv1652309092215342D          

 51 56  0  0  1  0            999 V2000
    0.3370    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456    1.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    1.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    2.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    1.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7104    0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0498    0.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2849    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330   -0.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804   -1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -0.5839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4685   -0.3243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9693   -0.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6519   -1.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527   -2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337   -1.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    0.3971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7224    0.1719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2971   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4972   -0.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3144    0.7465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1080    0.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6999    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    1.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4936    0.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0855    1.4453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8838    2.2453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    1.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2647    1.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8745    0.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0809    0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    1.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271    1.1971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    2.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    1.6172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0680    2.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    2.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6463    2.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815    3.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2338    4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    4.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473    5.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8950    5.0440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8121    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6391    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  1  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 22 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 18 37  1  0  0  0  0
 37 38  1  1  0  0  0
 37 39  1  0  0  0  0
  5 39  1  0  0  0  0
 39 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 43 48  1  0  0  0  0
 12 49  1  0  0  0  0
  6 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0285406

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@]3(C)CC[C@H](OC(=O)C[C@H](N)C4=CC=CC=C4)[C@]4(CO4)[C@@H]13)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C39H46N2O10/c1-21-28(44)17-26-32(48-22(2)42)34-38(6,15-14-29(39(34)20-47-39)50-30(45)18-27(40)24-11-8-7-9-12-24)35(51-36(46)25-13-10-16-41-19-25)33(49-23(3)43)31(21)37(26,4)5/h7-13,16,19,26-27,29,32-35H,14-15,17-18,20,40H2,1-6H3/t26-,27-,29-,32+,33+,34-,35-,38+,39+/m0/s1

> <INCHI_KEY>
BGFACZKHEDDYOW-LYTSVUBRSA-N

> <FORMULA>
C39H46N2O10

> <MOLECULAR_WEIGHT>
702.801

> <EXACT_MASS>
702.315245689

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
71.72557355053841

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate

> <JCHEM_LOGP>
3.4613049800000004

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.582158807186662

> <JCHEM_PKA_STRONGEST_BASIC>
8.631818286375195

> <JCHEM_POLAR_SURFACE_AREA>
173.71000000000004

> <JCHEM_REFRACTIVITY>
181.829

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R)-2',10'-bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8}]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       0.629   4.734   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.579   3.522   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.003   2.093   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.103   3.738   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.053   2.525   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.193   1.141   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.960   0.095   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.532   0.672   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.115  -1.475   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.897  -2.418   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.596  -2.021   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.918  -1.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.474  -0.605   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.409  -1.829   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.817  -3.251   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.752  -4.474   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.290  -3.448   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.334   0.741   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.815   0.321   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.888  -0.784   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.395  -1.161   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.920   1.394   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.402   0.973   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      12.507   2.046   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      12.130   3.539   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      13.988   1.625   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.093   2.698   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      14.716   4.191   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      16.574   2.277   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      17.679   3.350   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.161   2.930   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.537   1.436   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.432   0.364   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      16.951   0.784   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.544   2.887   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.062   3.307   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.957   2.235   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.761   3.762   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.572   3.019   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.727   4.551   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       4.477   5.451   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.073   4.819   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       4.632   6.983   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.036   7.615   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.191   9.148   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.942  10.048   0.000  0.00  0.00           C+0
HETATM   47  N   UNK     0       3.537   9.416   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0       3.383   7.883   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       4.154   0.102   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       5.638   0.514   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.926   1.434   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   39                                                  
CONECT    6    5    7   49                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   49                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   37                                                  
CONECT   19   18   20   21   22                                             
CONECT   20   19   21                                                       
CONECT   21   20   19                                                       
CONECT   22   19   23   35                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   22   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   18   38   39                                             
CONECT   38   37                                                            
CONECT   39   37    5   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   48                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   43                                                       
CONECT   49   12    6   50   51                                             
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  112    0
END

View in JSmol

Synonyms

Value	Source
(1'r,2R,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-Bis(acetyloxy)-5'-{[(3S)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0,]pentadecan]-11'-en-9'-yl pyridine-3-carboxylic acid	Generator

Chemical Formula

C₃₉H₄₆N₂O₁₀

Average Mass

702.8010 Da

Monoisotopic Mass

702.31525 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(=O)C3=CC=CN=C3)[C@]3(C)CC[C@H](OC(=O)C[C@H](N)C4=CC=CC=C4)[C@]4(CO4)[C@@H]13)C2(C)C

InChI Identifier

InChI=1S/C39H46N2O10/c1-21-28(44)17-26-32(48-22(2)42)34-38(6,15-14-29(39(34)20-47-39)50-30(45)18-27(40)24-11-8-7-9-12-24)35(51-36(46)25-13-10-16-41-19-25)33(49-23(3)43)31(21)37(26,4)5/h7-13,16,19,26-27,29,32-35H,14-15,17-18,20,40H2,1-6H3/t26-,27-,29-,32+,33+,34-,35-,38+,39+/m0/s1

InChI Key

BGFACZKHEDDYOW-LYTSVUBRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Prumnopitys andina	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-Abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] Propellane ring system.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Taxanes and derivatives

Alternative Parents

Substituents

Taxane diterpenoid
Tetracarboxylic acid or derivatives
Beta amino acid or derivatives
Pyridine carboxylic acid or derivatives
Pyridine carboxylic acid
Aralkylamine
Cyclohexenone
Fatty acid ester
Fatty acyl
Pyridine
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Amino acid or derivatives
Carboxylic acid ester
Cyclic ketone
Ketone
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Carbonyl group
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.46	ChemAxon
pKa (Strongest Acidic)	18.58	ChemAxon
pKa (Strongest Basic)	8.63	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	173.71 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	181.83 m³·mol⁻¹	ChemAxon
Polarizability	71.73 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162849606

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate (NP0285406)

MOL for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

3D MOL for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

3D SDF for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

3D-SDF for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

PDB for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

3D PDB for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

SMILES for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

INCHI for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

Structure for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)

3D Structure for NP0285406 ((1'r,2r,2'r,3'r,5's,8'r,9'r,10'r)-2',10'-bis(acetyloxy)-5'-{[(3s)-3-amino-3-phenylpropanoyl]oxy}-8',12',15',15'-tetramethyl-13'-oxospiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-9'-yl pyridine-3-carboxylate)