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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol , (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol , (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
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| Smiles: |
C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CCC=C(C)C)\C
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| InChi : |
InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1
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| InChi Key : |
InChIKey=ODADKLYLWWCHNB-LDYBVBFYSA-N
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| PubChem ID : |
5282350
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
8.183636
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
3.195
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| XLogP : |
7.552
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VDW volume : |
441.696827
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| Molecular weight : |
396.302831
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HOMO-LUMO gap : |
8.481000
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| Herb list : |
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| Refrences & Litretures: |
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