| SpectraBase Spectrum ID |
BBZEfeCE0tj |
| Name |
(1S,5S,6R,7R)-3-[2-(4-Carboxyphenyl)ethyl]-7-hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-bicyclo[3.3.0]-2-octene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H36O4 |
| InChI |
InChI=1S/C26H36O4/c1-3-4-13-26(2,30)14-5-6-22-23-16-19(15-21(23)17-24(22)27)8-7-18-9-11-20(12-10-18)25(28)29/h5-6,9-12,15,21-24,27,30H,3-4,7-8,13-14,16-17H2,1-2H3,(H,28,29)/b6-5+/t21?,22-,23?,24-,26+/m1/s1 |
| InChIKey |
CHCOXOYRLJDIFF-YQAARCRMSA-N |
| Molecular Weight |
412.570 g/mol |
| SMILES |
O[C@](C\C=C\[C@@]1(C2C(C[C@]1(O)[H])C=C(C2)CCc1ccc(C(=O)O)cc1)[H])(CCCC)C |
| SPLASH |
splash10-0006-0093000000-fd4a13bc7a011ee6aece |
| Source of Spectrum |
F-51-5540-15 |
| Synonyms |
(6R,7R)-3-[2-(4-Carboxyphenyl)ethyl]-7-hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-bicyclo[3.3.0]-2-octene
4-(2-{(3aS,5R,6R,6aS)-5-hydroxy-6-[(1E,4S)-4-hydroxy-4-methyl-1-octenyl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}ethyl)benzoic acid |
| Wiley ID |
791927 |
![(1S,5S,6R,7R)-3-[2-(4-Carboxyphenyl)ethyl]-7-hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-bicyclo[3.3.0]-2-octene](/api/spectrum/BBZEfeCE0tj/structure.png?h=300&w=458 "(1S,5S,6R,7R)-3-[2-(4-Carboxyphenyl)ethyl]-7-hydroxy-6-[(E,S)-4-hydroxy-4-methyl-1-octenyl]-bicyclo[3.3.0]-2-octene")
