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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-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,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-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](CC[C@@H](C(C)C)C)C)C)C1)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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
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| InChi Key : |
InChIKey=SGNBVLSWZMBQTH-ZRUUVFCLSA-N
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| PubChem ID : |
5283637
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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 : |
9.235622
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.695
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| XLogP : |
11.026
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VDW volume : |
449.571961
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| Molecular weight : |
400.370516
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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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