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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-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](/C=C/[C@@H](C(C)C)C)C)C)C
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| InChi : |
InChI=1S/C28H46O/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/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,24+,25-,26-,27-,28+/m0/s1
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| InChi Key : |
InChIKey=QOXPZVASXWSKKU-DLONVHBFSA-N
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| PubChem ID : |
6438662
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.084306
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.344
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| XLogP : |
10.692
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VDW volume : |
446.935503
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| Molecular weight : |
398.354866
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HOMO-LUMO gap : |
10.333000
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| Herb list : |
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| Refrences & Litretures: |
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