|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol , (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydro-2H-1-benzopyran-6-ol , (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
|
| Smiles: |
C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2C)O)/CC/C=C(/CCC=C(C)C)\C
|
| InChi : |
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
|
| InChi Key : |
InChIKey=FGYKUFVNYVMTAM-WAZJVIJMSA-N
|
| PubChem ID : |
5282348
|
|
|
|
| Rotatable bond count : |
9
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
2
|
Ionization potential : |
8.055047
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
1.813
|
| XLogP : |
7.733
|
VDW volume : |
458.992812
|
| Molecular weight : |
410.318481
|
HOMO-LUMO gap : |
8.430000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|