(1'S,2'S,4a'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'-yl)propyl (R)-O-methylmandelate
Compound with spectra: 1 MS (GC)
![(1'S,2'S,4a'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'-yl)propyl (R)-O-methylmandelate](/api/compound/6QEctHNSQpP.png?ph=true&h=300&w=458 "(1'S,2'S,4a'S,8'S,8a'S)-3'-{2'-methyl-8'-[(S)-2-methylbutanoylloxy]-1',2',4a',5',6',7',8',8a'-octahydronaphthalene-1'-yl)propyl (R)-O-methylmandelate")
| SpectraBase Compound ID | 6QEctHNSQpP |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-5-19(2)27(29)33-24-15-9-13-21-17-16-20(3)23(25(21)24)14-10-18-32-28(30)26(31-4)22-11-7-6-8-12-22/h6-8,11-12,16-17,19-21,23-26H,5,9-10,13-15,18H2,1-4H3/t19-,20-,21+,23-,24-,25-,26+/m0/s1 |
| InChIKey | WANNMJSNTYFIRG-XXVDCCPKSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
| Enantiomer InChIKey | WANNMJSNTYFIRG-RTJSZRSISA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-0-2428-50 |