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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
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| Smiles: |
C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
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| InChi : |
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
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| InChi Key : |
InChIKey=FSLPMRQHCOLESF-SFMCKYFRSA-N
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| PubChem ID : |
73170
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
8.949819
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.575
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| XLogP : |
11.448
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VDW volume : |
471.807472
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| Molecular weight : |
426.386166
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HOMO-LUMO gap : |
10.396000
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| Herb list : |
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| Refrences & Litretures: |
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