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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol , (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol , (6aR,10aR)-3-amyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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| Smiles: |
CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C
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| InChi : |
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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| InChi Key : |
InChIKey=HCAWPGARWVBULJ-IAGOWNOFSA-N
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| PubChem ID : |
638026
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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 : |
8.738424
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
0.952
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| XLogP : |
5.719
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VDW volume : |
330.837378
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| Molecular weight : |
314.22458
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HOMO-LUMO gap : |
9.173000
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| Herb list : |
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| Refrences & Litretures: |
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