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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(1S,2S,8aR)-1-[(E)-5-hydroxy-3-methyl-pent-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol , (1S,2S,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol , (1S,2S,8aR)-2,5,5,8a-tetramethyl-1-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
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| Smiles: |
OC/C=C(/CC[C@@H]1[C@@](C)(O)CC[C@H]2[C@@]1(C)CCCC2(C)C)\C
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| InChi : |
InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m1/s1
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| InChi Key : |
InChIKey=LEOHDQKUMQKLMP-BVVYIIRBSA-N
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| PubChem ID : |
91746444
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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 : |
9.225808
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
3.072
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| XLogP : |
5.834
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VDW volume : |
344.707229
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| Molecular weight : |
308.27153
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HOMO-LUMO gap : |
10.544000
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| Herb list : |
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| Refrences & Litretures: |
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