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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3R,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3R,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Smiles: |
CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=CC2=C[C@@H](CC[C@]12C)O)C
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| InChi : |
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,18-21,23-27,30H,7,12-17H2,1-6H3/b9-8+/t20-,21+,23-,24+,25-,26+,27+,28+,29-/m1/s1
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| InChi Key : |
InChIKey=CJPJTYGDAZLMNV-KRUSZOTOSA-N
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| PubChem ID : |
91744919
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.019749
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
3.311
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| XLogP : |
11.219
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VDW volume : |
461.595029
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| Molecular weight : |
410.354866
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HOMO-LUMO gap : |
9.207000
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| Herb list : |
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| Refrences & Litretures: |
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