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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol , (2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol , (2R)-2,5,7,8-tetramethyl-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)c(c(c2C)O)C)/CC/C=C(/CCC=C(C)C)\C
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| InChi : |
InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
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| InChi Key : |
InChIKey=RZFHLOLGZPDCHJ-XZXLULOTSA-N
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| PubChem ID : |
5282347
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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 : |
8.043997
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
0.827
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| XLogP : |
7.914
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VDW volume : |
476.288797
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| Molecular weight : |
424.334131
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HOMO-LUMO gap : |
8.446000
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| Herb list : |
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| Refrences & Litretures: |
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