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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3R,3aR,5aS,5bR,11aS)-3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene , (3R,3aR,5aS,5bR,11aS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene , (3R,3aR,5aS,5bR,11aS)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene
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| Smiles: |
CC([C@H]1CCC2=C3[C@](CC[C@]12C)(C)[C@]1(C)CC[C@@H]2[C@]([C@H]1CC3)(C)CCCC2(C)C)C
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| InChi : |
InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25-,27-,28+,29-,30-/m1/s1
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| InChi Key : |
InChIKey=WGNURPYJZZHCBQ-ZNABNZNXSA-N
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| PubChem ID : |
12310618
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| Rotatable bond count : |
1
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.715095
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.117
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| XLogP : |
13.21
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VDW volume : |
463.017245
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| Molecular weight : |
410.391252
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HOMO-LUMO gap : |
10.292000
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| Herb list : |
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| Refrences & Litretures: |
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