| SpectraBase Spectrum ID |
Die8tbXY8Ka |
| Name |
(1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-3-hydroxy-1-octenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene |
| Alternate Name(s) |
Methyl 3-({(3aS,5R,6R,6aS)-5-hydroxy-6-[(1E,3S)-3-hydroxy-1-octenyl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}methyl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O4 |
| InChI |
InChI=1S/C25H34O4/c1-3-4-5-9-21(26)10-11-22-23-15-18(14-20(23)16-24(22)27)12-17-7-6-8-19(13-17)25(28)29-2/h6-8,10-11,13-14,20-24,26-27H,3-5,9,12,15-16H2,1-2H3/b11-10+/t20-,21-,22+,23-,24+/m0/s1 |
| InChIKey |
JUMJWUQURPHEMJ-ARHYVFIKSA-N |
| Molecular Weight |
398.543 g/mol |
| SMILES |
O[C@](\C=C\[C@@]1([C@@]2([C@](C[C@]1(O)[H])(C=C(C2)Cc1cc(C(=O)OC)ccc1)[H])[H])[H])(CCCCC)[H] |
| SPLASH |
splash10-0005-8904000000-3147b5b644cf3b30895c |
| Source of Spectrum |
F-51-5538-9 |
| Wiley ID |
791937 |
![(1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-3-hydroxy-1-octenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene](/api/spectrum/Die8tbXY8Ka/structure.png?h=300&w=458 "(1S,5S,6R,7R)-7-Hydroxy-6-[(E,S)-3-hydroxy-1-octenyl]-3-(3-methoxycarbonylbenzyl)bicyclo[3.3.0]-2-octene")
