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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
1,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene , 1,2,4a,6a,6b,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene
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| Smiles: |
C[C@H]1CC[C@@]2([C@@H]([C@H]1C)C1=CC[C@@H]3[C@]([C@@]1(CC2)C)(C)CC[C@H]1[C@@]3(C)CCC=C1C)C
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| InChi : |
InChI=1S/C29H46/c1-19-12-15-26(4)17-18-28(6)23(25(26)21(19)3)10-11-24-27(5)14-8-9-20(2)22(27)13-16-29(24,28)7/h9-10,19,21-22,24-25H,8,11-18H2,1-7H3/t19-,21-,22+,24-,25-,26-,27+,28+,29-/m0/s1
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| InChi Key : |
InChIKey=PSESUFHNSONVFL-YTSFRJTOSA-N
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| PubChem ID : |
91735342
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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 : |
8.828250
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.744
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| XLogP : |
12.383
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VDW volume : |
443.084802
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| Molecular weight : |
394.359951
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HOMO-LUMO gap : |
10.326000
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| Herb list : |
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| Refrences & Litretures: |
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