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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methyl-pent-4-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol , (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol , (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
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| Smiles: |
C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C
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| InChi : |
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
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| InChi Key : |
InChIKey=XVULBTBTFGYVRC-HHUCQEJWSA-N
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| PubChem ID : |
163263
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.871815
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
3.742
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| XLogP : |
5.989
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VDW volume : |
344.707229
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| Molecular weight : |
308.27153
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HOMO-LUMO gap : |
10.838000
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| Herb list : |
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| Refrences & Litretures: |
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