| SpectraBase Spectrum ID |
4tfN65k2dc |
| Name |
(6S,10Z,12E)-3-hydroxy-6,10-dimethyl-13-[(7S)-7-methyl-5,6-dihydro-4H-benzofuran-7-yl]trideca-10,12-dien-4-one |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O3 |
| InChI |
InChI=1S/C24H36O3/c1-5-21(25)22(26)17-19(3)10-6-9-18(2)11-7-14-24(4)15-8-12-20-13-16-27-23(20)24/h7,11,13-14,16,19,21,25H,5-6,8-10,12,15,17H2,1-4H3/b14-7+,18-11-/t19-,21?,24+/m0/s1 |
| InChIKey |
GHGXPVQCIKVWSW-QLQJQYTPSA-N |
| Instrument Name |
Hitachi M-2500 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020456p |
| Molecular Weight |
372.549 g/mol |
| Optical Rotation |
[a]D30 = +12.2 (c = 0.2, CHCl3) |
| Reported Formula |
C24H36O3 |
| SMILES |
OC(C(C[C@](CCC\C(=C/C=C/[C@@]1(CCCc2c1occ2)C)C)(C)[H])=O)CC |
| SPLASH |
splash10-05fr-0928000000-bffa6dd4a9dbfb2babf9 |
| Source of Spectrum |
G4-66-253-5 |
| Wiley ID |
1881247 |
![(6S,10Z,12E)-3-hydroxy-6,10-dimethyl-13-[(7S)-7-methyl-5,6-dihydro-4H-benzofuran-7-yl]trideca-10,12-dien-4-one](/api/spectrum/4tfN65k2dc/structure.png?h=300&w=458 "(6S,10Z,12E)-3-hydroxy-6,10-dimethyl-13-[(7S)-7-methyl-5,6-dihydro-4H-benzofuran-7-yl]trideca-10,12-dien-4-one")
