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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
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| Smiles: |
O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
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| InChi : |
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
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| InChi Key : |
InChIKey=JFSHUTJDVKUMTJ-QHPUVITPSA-N
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| PubChem ID : |
73145
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| Rotatable bond count : |
0
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
8.987629
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
2.011
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| XLogP : |
11.546
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VDW volume : |
471.807472
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| Molecular weight : |
426.386166
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HOMO-LUMO gap : |
10.410000
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| Herb list : |
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| Refrences & Litretures: |
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