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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol , (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol , (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2,6-bis(oxidanyl)heptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
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| Smiles: |
O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3CC[C@]2([C@]2([C@H]1[C@H](CC2)[C@@](CCCC(O)(C)C)(O)C)C)C)(C)C)O
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| InChi : |
InChI=1S/C30H54O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
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| InChi Key : |
InChIKey=VKYVIIIEJKSVBR-XHJPDDKBSA-N
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| PubChem ID : |
158501
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
4
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Ionization potential : |
9.851681
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
4.009
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| XLogP : |
7.066
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VDW volume : |
513.171069
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| Molecular weight : |
478.40221
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HOMO-LUMO gap : |
12.184000
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| Herb list : |
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| Refrences & Litretures: |
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