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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol , (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-ol , (6aR,10aR)-3-amyl-6,6-dimethyl-9-methylol-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
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| Smiles: |
CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(CO)CC1)(C)C
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| InChi : |
InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
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| InChi Key : |
InChIKey=YCBKSSAWEUDACY-IAGOWNOFSA-N
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| PubChem ID : |
644022
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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 : |
8.816591
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| Hydrogen bond donor count : |
2
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Electric dipole moment : |
2.258
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| XLogP : |
3.948
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VDW volume : |
339.627605
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| Molecular weight : |
330.219495
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HOMO-LUMO gap : |
9.164000
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| Herb list : |
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| Refrences & Litretures: |
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