NP-MRD: Showing NP-Card for 1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone (NP0288719)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-09 18:32:40 UTC

Updated at

2022-09-09 18:32:41 UTC

NP-MRD ID

NP0288719

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone

Description

(-)-Curicycleatjenine belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. 1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone is found in Cyclea atjehensis. Based on a literature review very few articles have been published on (-)-curicycleatjenine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092220322D          

 47 54  0  0  1  0            999 V2000
   12.4754   -2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8669   -2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7001   -2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8767   -1.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6545   -3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4776   -3.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5993   -4.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1971   -5.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6664   -5.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957   -5.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233   -5.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066   -4.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3404   -3.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2723   -4.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433   -5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3716   -5.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -6.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858   -7.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -5.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0207   -6.3739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1641   -6.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384   -6.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002   -6.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6231   -4.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187   -4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6981   -5.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234   -3.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949   -2.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2600   -2.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848   -2.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920   -1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198   -2.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -2.1652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3936   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578   -1.3942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109   -0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -2.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6771   -3.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 20  1  1  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  6 40  1  0  0  0  0
 39 41  1  1  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 37 44  1  0  0  0  0
 35 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 34 47  1  0  0  0  0
M  END

     RDKit          3D

 85 92  0  0  0  0  0  0  0  0999 V2000
   -0.2958    6.2686   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2306    5.0201    0.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498    3.8951    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774    4.1395    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740    3.0779    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1573    1.7953    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057    1.5682    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    2.6455    0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    2.6584    0.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    1.8752    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    0.5076   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726   -0.0717   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    0.7370   -0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    2.0939   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842    2.6284   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    4.0229    0.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7383    4.7561   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9456    0.1896   -1.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480   -1.0977   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2584   -1.6140   -0.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -2.1691    1.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7195   -2.3455    1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049   -2.5490    1.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744   -1.4515   -0.9401 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2060   -2.6521   -0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411   -2.6293   -0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -2.9388    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -2.9549    1.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -2.6621    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6021   -2.3514   -1.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7857   -2.3305   -1.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681   -2.7050    0.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6391   -2.4790    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5040   -3.5889    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8469   -3.4608    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4323   -2.1992    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6041   -1.1270    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2435   -1.2076    0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4953    0.0221    0.2526 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2971    0.8492    1.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1677    0.8371   -0.7415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    0.3106   -2.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5226    1.1464   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2715    0.2163    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4449   -4.7256    0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4970   -5.6448    0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913   -4.9765    0.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9436    6.5749    0.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8739    6.2117   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5605    6.9729   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3090    5.1135    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7574    3.2853    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.5697    1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5482   -0.1424    0.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5964    2.7125   -0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6045    4.3196    0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166    5.8321   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965    4.7243   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7279   -0.0027   -2.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7654    0.8984   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540   -1.8213   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2914   -0.9255   -0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4061   -2.9096    0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509   -1.3145    1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6637   -2.7496    2.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2955   -1.3389   -2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4112   -3.2343   -1.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922   -3.4098   -0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086   -3.1860    1.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2794   -3.2324    2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2119   -2.0801   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644   -2.0081   -2.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5041   -2.0751    0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4754   -0.1646   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2871    1.4134    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083    0.3214    2.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8611   -0.2195   -2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605    1.1288   -2.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1046   -0.3835   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6516    2.1803   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0329    1.2601   -1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5137    0.5953    1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3008    0.0856   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -6.5981    0.9777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5774   -5.7330   -0.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 40  1  0
 40 39  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 44 37  1  0
 37 38  2  0
 38 33  1  0
 33 32  1  0
 32 29  1  0
 29 28  2  0
 28 27  1  0
 27 26  2  0
 26 25  1  0
 25 24  1  0
 24 20  1  0
 20 19  1  0
 19 18  1  0
 18 13  1  0
 13 12  2  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  7  2  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 15 14  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 26 31  1  0
 31 30  2  0
 33 34  2  0
 34 47  1  0
 47 46  1  0
 46 45  1  0
 45 35  1  0
 35 36  2  0
  8  3  1  0
 35 34  1  0
  7  6  1  0
 38 39  1  0
 30 29  1  0
 36 37  1  0
 12 24  1  0
 14 13  1  0
  1 48  1  0
  1 49  1  0
  1 50  1  0
  4 51  1  0
  5 52  1  0
 40 75  1  0
 40 76  1  0
 39 74  1  6
 42 77  1  0
 42 78  1  0
 42 79  1  0
 43 80  1  0
 43 81  1  0
 44 82  1  0
 44 83  1  0
 28 70  1  0
 27 69  1  0
 25 67  1  0
 25 68  1  0
 24 66  1  6
 19 61  1  0
 19 62  1  0
 18 59  1  0
 18 60  1  0
 11 54  1  0
  7 53  1  0
 17 56  1  0
 17 57  1  0
 17 58  1  0
 14 55  1  0
 22 63  1  0
 22 64  1  0
 22 65  1  0
 31 72  1  0
 30 71  1  0
 46 84  1  0
 46 85  1  0
 36 73  1  0
M  END


  Mrv1652309092220322D          

 47 54  0  0  1  0            999 V2000
   12.4754   -2.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8669   -2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7001   -2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8767   -1.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6545   -3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4776   -3.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5993   -4.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1971   -5.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6664   -5.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957   -5.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233   -5.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066   -4.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3404   -3.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2723   -4.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3433   -5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3716   -5.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6708   -6.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858   -7.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   -5.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0207   -6.3739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1641   -6.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3384   -6.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5002   -6.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680   -5.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6231   -4.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187   -4.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6981   -5.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234   -3.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0949   -2.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2600   -2.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848   -2.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920   -1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198   -2.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -2.1652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3936   -2.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578   -1.3942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109   -0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5821   -0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -2.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417   -3.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6771   -3.4467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 20  1  1  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
  6 40  1  0  0  0  0
 39 41  1  1  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 37 44  1  0  0  0  0
 35 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 34 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288719

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC=C(C[C@@H]5N(CCC6=C5C=C(OC1=C2)C(OC)=C6)C(C)=O)C=C3)=C1OCOC1=C4

> <INCHI_IDENTIFIER>
InChI=1S/C38H38N2O7/c1-22(41)40-14-12-25-18-32(43-4)34-20-28(25)29(40)15-23-5-8-27(9-6-23)46-38-36-26(19-35-37(38)45-21-44-35)11-13-39(2)30(36)16-24-7-10-31(42-3)33(17-24)47-34/h5-10,17-20,29-30H,11-16,21H2,1-4H3/t29-,30-/m0/s1

> <INCHI_KEY>
FACPTWNXIVCGNY-KYJUHHDHSA-N

> <FORMULA>
C38H38N2O7

> <MOLECULAR_WEIGHT>
634.729

> <EXACT_MASS>
634.267901572

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
68.14446650319385

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(1S,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2^{3,6}.1^{8,15}.1^{21,25}.0^{9,13}.0^{30,34}.0^{19,37}]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethan-1-one

> <JCHEM_LOGP>
5.643732971333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.625920323868582

> <JCHEM_POLAR_SURFACE_AREA>
78.93

> <JCHEM_REFRACTIVITY>
177.22629999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-[(1S,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2^{3,6}.1^{8,15}.1^{21,25}.0^{9,13}.0^{30,34}.0^{19,37}]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone

> <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      23.287  -4.092   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      22.152  -5.184   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      20.504  -5.415   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.973  -3.946   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.436  -3.706   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.334  -4.833   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.022  -6.261   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.558  -6.679   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      19.785  -8.334   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      19.035  -9.827   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.044 -11.125   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.419 -11.054   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.097  -9.546   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.812  -8.259   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.287  -8.501   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      19.302  -7.417   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      21.042  -7.595   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.915  -8.641   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.707  -9.485   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      13.760 -11.041   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      12.452 -12.457   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.920 -14.021   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.398 -11.031   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      14.972 -11.898   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.373 -12.506   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.832 -11.819   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.267 -11.562   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.647 -10.081   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.496  -8.714   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.982  -8.997   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.503 -10.444   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      10.870  -7.083   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      11.377  -5.495   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.819  -5.344   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.118  -3.972   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.983  -2.692   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.558  -2.777   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.357  -4.146   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.045  -4.042   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      15.668  -4.563   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0      14.668  -2.603   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      15.848  -1.538   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.834  -1.312   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.287  -1.394   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       7.597  -4.215   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       7.358  -5.736   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       8.731  -6.434   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   40                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   24                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   13   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   20   12   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   29   33                                                       
CONECT   33   32   34   38                                                  
CONECT   34   33   35   47                                                  
CONECT   35   34   36   45                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   44                                                  
CONECT   38   37   33   39                                                  
CONECT   39   38   40   41                                                  
CONECT   40   39    6                                                       
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   37                                                       
CONECT   45   35   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   34                                                       
MASTER        0    0    0    0    0    0    0    0   47    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₃₈N₂O₇

Average Mass

634.7290 Da

Monoisotopic Mass

634.26790 Da

IUPAC Name

1-[(1S,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2^{3,6}.1^{8,15}.1^{21,25}.0^{9,13}.0^{30,34}.0^{19,37}]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethan-1-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC=C(C[C@@H]5N(CCC6=C5C=C(OC1=C2)C(OC)=C6)C(C)=O)C=C3)=C1OCOC1=C4

InChI Identifier

InChI=1S/C38H38N2O7/c1-22(41)40-14-12-25-18-32(43-4)34-20-28(25)29(40)15-23-5-8-27(9-6-23)46-38-36-26(19-35-37(38)45-21-44-35)11-13-39(2)30(36)16-24-7-10-31(42-3)33(17-24)47-34/h5-10,17-20,29-30H,11-16,21H2,1-4H3/t29-,30-/m0/s1

InChI Key

FACPTWNXIVCGNY-KYJUHHDHSA-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
Cyclea atjehensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Diarylethers

Alternative Parents

Substituents

Diaryl ether
Tetrahydroisoquinoline
Benzodioxole
Anisole
Alkyl aryl ether
Aralkylamine
Benzenoid
Tertiary carboxylic acid amide
Acetamide
Amino acid or derivatives
Carboxamide group
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Oxacycle
Azacycle
Amine
Organonitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organic nitrogen compound
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	5.64	ChemAxon
pKa (Strongest Basic)	7.63	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	78.93 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	177.23 m³·mol⁻¹	ChemAxon
Polarizability	68.14 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00025236

Chemspider ID

23326503

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44559025

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone (NP0288719)

MOL for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

3D MOL for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

3D SDF for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

3D-SDF for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

PDB for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

3D PDB for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

SMILES for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

INCHI for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

Structure for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)

3D Structure for NP0288719 (1-[(1s,19s)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2³,⁶.1⁸,¹⁵.1²¹,²⁵.0⁹,¹³.0³⁰,³⁴.0¹⁹,³⁷]nonatriaconta-3,5,8,13,15(37),21,23,25(36),27(35),28,30(34),38-dodecaen-33-yl]ethanone)