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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]decalin , (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylene-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene , (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene , (4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene
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| Smiles: |
C/C(=C\CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)/CC/C=C(/CCC=C(C)C)\C
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| InChi : |
InChI=1S/C30H50/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-18-27-26(5)19-20-28-29(6,7)21-12-22-30(27,28)8/h13,15,17,27-28H,5,9-12,14,16,18-22H2,1-4,6-8H3/b24-15+,25-17+/t27-,28-,30+/m0/s1
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| InChi Key : |
InChIKey=IPRRCLUFQNXFGA-XXPUDMTESA-N
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| PubChem ID : |
11304437
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
0
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Ionization potential : |
8.956292
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
1.179
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| XLogP : |
12.614
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VDW volume : |
492.177245
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| Molecular weight : |
410.391252
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HOMO-LUMO gap : |
10.246000
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| Herb list : |
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| Refrences & Litretures: |
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