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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-[(1R)-4-hydroxy-1,4-dimethyl-pentyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-methyl-5-oxidanyl-hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Smiles: |
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(O)(C)C)C)C)C1)C
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| InChi : |
InChI=1S/C26H44O2/c1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5/h6,17,19-23,27-28H,7-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,25+,26-/m1/s1
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| InChi Key : |
InChIKey=USOOWRCOYYNZPU-LXVLQKCJSA-N
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| PubChem ID : |
22215776
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.240939
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
3.010
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| XLogP : |
7.984
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VDW volume : |
423.770219
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| Molecular weight : |
388.334131
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HOMO-LUMO gap : |
10.491000
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| Herb list : |
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| Refrences & Litretures: |
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