NP-MRD: Showing NP-Card for 4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate (NP0243625)

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Record Information

Version

2.0

Created at

2022-09-07 04:13:10 UTC

Updated at

2022-09-07 04:13:10 UTC

NP-MRD ID

NP0243625

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate

Description

4-(Acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]Octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position. 4-(Acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]Octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261512412D          

 50 56  0  0  0  0            999 V2000
   -3.4726   -3.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604   -3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -4.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801   -2.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362   -3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165   -4.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -3.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -2.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -1.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0532   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5020   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3076    0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282    1.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    0.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    3.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    1.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877   -2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -1.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392   -0.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271   -0.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    0.0008    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 17 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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 22 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 10 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
M  END

     RDKit          3D

112118  0  0  0  0  0  0  0  0999 V2000
    7.1743   -3.7313   -1.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7479   -2.5121   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5782   -2.6104    0.3883 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4126   -1.2186   -0.9604 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9942   -0.0800   -0.3233 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6782    0.7471   -1.3793 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1520   -0.1380   -2.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6795    1.7255   -1.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3767    1.2550   -1.8964 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    1.1992   -0.6088 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7904    0.2954   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    0.8860   -0.3639 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6464    0.8621   -1.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.4522   -1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.6744   -0.4399 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2603   -1.9202   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -0.6522   -0.5187 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0599   -0.0855   -1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4795   -0.4917   -1.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231   -0.1404   -0.6116 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6595    1.3101   -0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4587   -1.0774   -0.5398 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8350   -0.5515   -0.8393 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9520    0.0123   -2.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7449   -1.7965   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1038   -1.1146   -0.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7097    0.0020    0.2647 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5997    1.2098    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5858    1.8424   -1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0295    0.7341    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2992    2.1747    1.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3807    0.2473    0.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4539   -1.7769    0.7945 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2895   -1.2383    1.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816   -1.6875    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -0.3065    0.7029 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1504    0.6681    1.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406   -0.0786    0.6750 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5634   -0.5455    1.9893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9419   -0.6050    1.9845 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4191   -0.0769    3.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    0.0445    0.7691 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9967    0.1946    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3645    1.0261    2.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000   -1.1998    1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9348    0.7795    0.3308 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5810    1.9573    0.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    2.2901    2.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    3.5208    2.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1966    1.5121    2.9788 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0352   -4.3868   -1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9312    1.8808   -3.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4238    2.1968   -0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9215    0.0435   -2.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5489    1.6483   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7965    1.8763   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8969    1.1110   -2.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9655   -0.2300   -2.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8654   -0.3775    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4185    2.6057   -1.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8037    1.1711   -2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5495    1.6018    1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9519    0.1818    2.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    1.0344    0.6377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9383   -1.5253    2.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8886    0.1985    2.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6623   -0.7521    3.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    1.0893    0.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6892    0.4011    2.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786    1.7595    2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2709    1.6573    1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724   -1.3369    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004   -1.3122    2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878   -1.9946    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5604    0.2175    1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8734    3.2907    3.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    3.8924    1.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6168    4.3109    2.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
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  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  6
 15 16  1  0
 17 16  1  6
 17 18  1  0
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 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 32  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 10 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 46  5  1  0
 43 12  1  0
 32 23  1  0
 17 15  1  0
 38 17  1  0
 42 15  1  0
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  1 51  1  0
  1 52  1  0
  1 53  1  0
  5 54  1  1
  6 55  1  1
  7 56  1  0
  8 57  1  0
  8 58  1  0
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 13 61  1  0
 13 62  1  0
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 18 68  1  0
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 21 71  1  0
 21 72  1  0
 21 73  1  0
 22 74  1  6
 33 90  1  6
 34 91  1  0
 35 92  1  0
 35 93  1  0
 37 94  1  0
 37 95  1  0
 37 96  1  0
 38 97  1  6
 39 98  1  0
 39 99  1  0
 40100  1  6
 41101  1  0
 42102  1  6
 44103  1  0
 44104  1  0
 44105  1  0
 45106  1  0
 45107  1  0
 45108  1  0
 24 75  1  0
 24 76  1  0
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 25 78  1  0
 25 79  1  0
 26 80  1  0
 26 81  1  0
 27 82  1  1
 29 83  1  0
 29 84  1  0
 29 85  1  0
 30 86  1  0
 30 87  1  0
 30 88  1  0
 31 89  1  0
 46109  1  1
 49110  1  0
 49111  1  0
 49112  1  0
M  END


  Mrv1533004261512412D          

 50 56  0  0  0  0            999 V2000
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   -2.6604   -3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1286   -4.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801   -2.9577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5680   -2.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0362   -3.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165   -4.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2241   -3.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -2.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -1.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6168   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0532   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5020   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7313   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5072   -1.3437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3047   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4926   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2123   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1486   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   -2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0083    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3076    0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282    1.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    0.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    3.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    1.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2877   -2.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -1.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392   -0.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7271   -0.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    0.0008    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 17 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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 22 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 10 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0243625

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC1C(O)COC(OC2CCC34CC33CCC5(C)C(C(O)CC5(C)C3CC(O)C4C2(C)C)C2(C)CCC(O2)C(C)(C)O)C1OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C39H62O11/c1-20(40)47-28-24(44)18-46-32(29(28)48-21(2)41)49-26-11-13-39-19-38(39)15-14-35(7)31(37(9)12-10-27(50-37)34(5,6)45)23(43)17-36(35,8)25(38)16-22(42)30(39)33(26,3)4/h22-32,42-45H,10-19H2,1-9H3

> <INCHI_KEY>
HAUCZONIQZLEEW-UHFFFAOYSA-N

> <FORMULA>
C39H62O11

> <MOLECULAR_WEIGHT>
706.914

> <EXACT_MASS>
706.429212816

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
112

> <JCHEM_AVERAGE_POLARIZABILITY>
78.83482254849366

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate

> <ALOGPS_LOGP>
3.19

> <JCHEM_LOGP>
2.3415434359999994

> <ALOGPS_LOGS>
-5.06

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.169292719238125

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.240114231406586

> <JCHEM_PKA_STRONGEST_BASIC>
-2.842352118234535

> <JCHEM_POLAR_SURFACE_AREA>
161.21

> <JCHEM_REFRACTIVITY>
180.46980000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.12e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      -6.482  -7.241   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.966  -6.969   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.973  -8.147   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -4.443  -5.521   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.927  -5.250   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.934  -6.427   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.457  -7.876   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.418  -6.156   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.105  -4.708   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.888  -3.531   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.365  -2.082   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.151  -1.811   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.675  -0.363   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.191  -0.092   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.183  -1.269   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.707   0.179   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.699  -0.998   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.222   0.451   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.738   0.722   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.731  -0.456   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.403   0.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.270  -0.506   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.698  -1.985   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.147  -2.508   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.424  -2.849   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.208  -1.904   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.839  -3.399   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.692  -2.175   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.169  -3.624   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.653  -3.895   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.130  -5.343   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.660  -2.717   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.144  -2.988   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.362  -4.513   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.002  -4.022   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.216   0.710   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.326  -0.357   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.908   1.523   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.277   3.018   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.813   3.129   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.393   1.703   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      12.625   4.437   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.438   5.745   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.933   3.624   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      11.318   5.250   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      -2.404  -3.802   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -3.396  -2.624   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      -2.873  -1.176   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -1.357  -0.905   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      -3.866   0.001   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   46                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   46                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   33                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   32                                             
CONECT   16   15   17                                                       
CONECT   17   16   15   18   28                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   26                                             
CONECT   21   20                                                            
CONECT   22   20   23   36                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   20   27   28                                             
CONECT   27   26                                                            
CONECT   28   26   17   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   15   33                                                  
CONECT   33   32   12   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   22   37   38   41                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40   36                                                       
CONECT   42   40   43   44   45                                             
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   42                                                            
CONECT   46   10    5   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  112    0
END

View in JSmol

Synonyms

Value	Source
4-(Acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0,.0,.0,]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetic acid	Generator
4-(Acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetic acid	Generator

Chemical Formula

C₃₉H₆₂O₁₁

Average Mass

706.9140 Da

Monoisotopic Mass

706.42921 Da

IUPAC Name

4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate

Traditional Name

4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

CC(=O)OC1C(O)COC(OC2CCC34CC33CCC5(C)C(C(O)CC5(C)C3CC(O)C4C2(C)C)C2(C)CCC(O2)C(C)(C)O)C1OC(C)=O

InChI Identifier

InChI=1S/C39H62O11/c1-20(40)47-28-24(44)18-46-32(29(28)48-21(2)41)49-26-11-13-39-19-38(39)15-14-35(7)31(37(9)12-10-27(50-37)34(5,6)45)23(43)17-36(35,8)25(38)16-22(42)30(39)33(26,3)4/h22-32,42-45H,10-19H2,1-9H3

InChI Key

HAUCZONIQZLEEW-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavans

Direct Parent

6-prenylated isoflavanones

Alternative Parents

Substituents

6-prenylated isoflavanone
Hydroxyisoflavonoid
Isoflavone
Chromone
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

7-hydroxyisoflavones (CHEBI:66263 )
Isoflavonoids (LMPK12050191 )

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	3.19	ALOGPS
logP	2.34	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	13.24	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	161.21 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	180.47 m³·mol⁻¹	ChemAxon
Polarizability	78.83 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	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

73816186

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate (NP0243625)

MOL for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

3D MOL for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

3D SDF for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

3D-SDF for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

PDB for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

3D PDB for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

SMILES for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

INCHI for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

Structure for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)

3D Structure for NP0243625 (4-(acetyloxy)-2-({9,14-dihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-5-hydroxyoxan-3-yl acetate)