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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(5aS,6S,9R,9aR)-9-isopropenyl-6-methyl-3-pentyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol , (5aS,6S,9R,9aR)-6-methyl-9-(1-methylethenyl)-3-pentyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol , (5aS,6S,9R,9aR)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol , (5aS,6S,9R,9aR)-3-amyl-9-isopropenyl-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol
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| Smiles: |
CCCCCc1cc(O)c2c(c1)O[C@H]1[C@@H]2[C@@H](CC[C@]1(C)O)C(=C)C
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| InChi : |
InChI=1S/C21H30O3/c1-5-6-7-8-14-11-16(22)19-17(12-14)24-20-18(19)15(13(2)3)9-10-21(20,4)23/h11-12,15,18,20,22-23H,2,5-10H2,1,3-4H3/t15-,18+,20-,21-/m0/s1
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| InChi Key : |
InChIKey=RBEAVAMWZAJWOI-MTOHEIAKSA-N
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| PubChem ID : |
162113
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| Rotatable bond count : |
5
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
8.859102
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
2.550
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| XLogP : |
4.624
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VDW volume : |
339.627605
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| Molecular weight : |
330.219495
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HOMO-LUMO gap : |
9.137000
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| Herb list : |
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| Refrences & Litretures: |
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