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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,5S)-10,13-dimethyl-17-(1,4,5-trimethylhexyl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,5S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Smiles: |
O[C@H]1CC[C@]2([C@H](C1)CC=C1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2[C@@H](CC[C@@H](C(C)C)C)C)C)C
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| InChi : |
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25+,26-,27-,28+/m0/s1
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| InChi Key : |
InChIKey=PUGBZUWUTZUUCP-DJHJDIRASA-N
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| PubChem ID : |
91746604
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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 : |
9.107272
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.791
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| XLogP : |
11.216
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VDW volume : |
449.571961
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| Molecular weight : |
400.370516
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HOMO-LUMO gap : |
10.437000
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| Herb list : |
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| Refrences & Litretures: |
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