| SpectraBase Spectrum ID |
CLuyUeFBDCn |
| Name |
3-[[(1R,2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]methyl]-4-methoxybenzoic acid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O5 |
| InChI |
InChI=1S/C18H22O5/c1-17(2)14(18(3,22)8-7-15(17)19)10-12-9-11(16(20)21)5-6-13(12)23-4/h5-9,14,22H,10H2,1-4H3,(H,20,21)/t14-,18-/m1/s1 |
| InChIKey |
VWTHQOHALJUZPE-RDTXWAMCSA-N |
| Molecular Weight |
318.369 g/mol |
| SMILES |
O[C@@]1(C=CC(C([C@]1(Cc1cc(C(=O)O)ccc1OC)[H])(C)C)=O)C |
| SPLASH |
splash10-05tb-8591000000-6ed61357788ca2c9d1ef |
| Source of Spectrum |
G4-64-1126-1 |
| Synonyms |
3-[[(1R,2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-cyclohex-3-en-1-yl]methyl]-4-methoxy-benzoic acid
3-[[(1R,2R)-2-hydroxy-5-keto-2,6,6-trimethyl-cyclohex-3-en-1-yl]methyl]-4-methoxy-benzoic acid
4-Methoxy-3-[[(1R,2R)-2,6,6-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohex-3-en-1-yl]methyl]benzoic acid |
| Wiley ID |
1609178 |
![3-[[(1R,2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]methyl]-4-methoxybenzoic acid](/api/spectrum/CLuyUeFBDCn/structure.png?h=300&w=458 "3-[[(1R,2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]methyl]-4-methoxybenzoic acid")
