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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2S,4aS,4bR,10aS)-2,4a,8,8-tetramethyl-2-vinyl-3,4,4b,5,6,7,10,10a-octahydro-1H-phenanthrene , (2S,4aS,4bR,10aS)-2-ethenyl-2,4a,8,8-tetramethyl-3,4,4b,5,6,7,10,10a-octahydro-1H-phenanthrene , (2S,4aS,4bR,10aS)-2-ethenyl-2,4a,8,8-tetramethyl-3,4,4b,5,6,7,10,10a-octahydro-1H-phenanthrene
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| Smiles: |
C=C[C@@]1(C)CC[C@]2([C@H](C1)CC=C1[C@@H]2CCCC1(C)C)C
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| InChi : |
InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17-,19-,20-/m0/s1
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| InChi Key : |
InChIKey=BAIWMJSLFJWAQP-UHMOLFJZSA-N
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| PubChem ID : |
101664401
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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 : |
9.027641
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.491
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| XLogP : |
8.612
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VDW volume : |
312.133858
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| Molecular weight : |
272.250401
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HOMO-LUMO gap : |
10.221000
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| Herb list : |
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| Refrences & Litretures: |
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