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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(4aS,6aR,6bS,8aR,12aR,14aR,14bS)-4,6a,6b,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene , (4aS,6aR,6bS,8aR,12aR,14aR,14bS)-4,6a,6b,8a,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picene
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| Smiles: |
CC1=CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C)C)C
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| InChi : |
InChI=1S/C29H46/c1-20-9-8-13-27(5)21(20)12-14-29(7)24(27)11-10-22-23-19-25(2,3)15-16-26(23,4)17-18-28(22,29)6/h9-10,21,23-24H,8,11-19H2,1-7H3/t21-,23-,24+,26+,27-,28+,29+/m0/s1
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| InChi Key : |
InChIKey=BUSIZDBOZRBEOT-PZUQKJEFSA-N
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| PubChem ID : |
15427754
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.933852
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.643
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| XLogP : |
12.481
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VDW volume : |
443.084802
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| Molecular weight : |
394.359951
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HOMO-LUMO gap : |
10.413000
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| Herb list : |
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| Refrences & Litretures: |
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