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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene , (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
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| Smiles: |
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC=C2)C)C
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| InChi : |
InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
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| InChi Key : |
InChIKey=RLHIRZFWJBOHHD-HKQCOZBKSA-N
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| PubChem ID : |
92835
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.656491
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.782
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| XLogP : |
12.489
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VDW volume : |
420.849291
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| Molecular weight : |
368.344301
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HOMO-LUMO gap : |
9.199000
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| Herb list : |
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| Refrences & Litretures: |
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