| SpectraBase Spectrum ID |
53PDSjOkqfe |
| Name |
3-[(1S,2S,4ar,6S,8as)-2,6-Dimethyl-6-oxidanyl-2,4A,5,7,8,8A-hexahydro-1H-naphthalen-1-yl]propanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-10-3-4-11-9-15(2,18)8-7-13(11)12(10)5-6-14(16)17/h3-4,10-13,18H,5-9H2,1-2H3,(H,16,17)/t10-,11-,12-,13-,15-/m0/s1 |
| InChIKey |
JCBGMXDVXDFMAS-CXOVXGEYSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
[C@]12([C@@](C=C[C@@]([C@@]2(CCC(=O)O)[H])(C)[H])(C[C@](CC1)(O)C)[H])[H] |
![3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-6-oxidanyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid](/api/spectrum/53PDSjOkqfe/structure.png?h=300&w=458 "3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-6-oxidanyl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid")
