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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate , acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester , [(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate , [(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate , [(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate , acetic acid [(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
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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]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)C
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| InChi : |
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9-/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
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| InChi Key : |
InChIKey=IZEUIYYDWBKERE-XPDIXIBYSA-N
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| PubChem ID : |
21159752
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| Rotatable bond count : |
7
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.199908
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.703
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| XLogP : |
11.811
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VDW volume : |
504.977225
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| Molecular weight : |
454.381081
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HOMO-LUMO gap : |
10.415000
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| Herb list : |
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| Refrences & Litretures: |
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