| SpectraBase Spectrum ID |
CoihkddH6sL |
| Name |
Benzoic acid (2S,4as,5R,8ar)-5-acetoxymethyl-6-formyl-1,1,4A-trimethyl-1,2,3,4,4A,5,8,8A-octahydro-naphthalen-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.209324061 u |
| Formula |
C24H30O5 |
| InChI |
InChI=1S/C24H30O5/c1-16(26)28-15-19-18(14-25)10-11-20-23(2,3)21(12-13-24(19,20)4)29-22(27)17-8-6-5-7-9-17/h5-10,14,19-21H,11-13,15H2,1-4H3/t19-,20-,21-,24+/m0/s1 |
| InChIKey |
PHGYUZSQAAJLGL-IBPRQYQWSA-N |
| Molecular Weight |
398.499 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)[C@](CC2)(OC(=O)C=2C=CC=CC2)[H])(CC=C([C@@]1(COC(=O)C)[H])C=O)[H])C |
