| SpectraBase Spectrum ID |
5449TykcG2o |
| Name |
rel-(1R,2S,3R)-3-Hydroxy-1,3-dimethyl-2-{2-[3-(1-methylethyl)phenyl]ethyl}cyclohexanecarboxylic Acid |
| Alternate Name(s) |
10-Hydroxy-9,10-secoabieta-8,11,13-trien-18-oic Acid
(1R,2S,3R)-3-hydroxy-2-(3-isopropylphenethyl)-1,3-dimethylcyclohexane-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-14(2)16-8-5-7-15(13-16)9-10-17-19(3,18(21)22)11-6-12-20(17,4)23/h5,7-8,13-14,17,23H,6,9-12H2,1-4H3,(H,21,22)/t17-,19+,20+/m0/s1 |
| InChIKey |
GDAJTKZIGQRGOD-DFQSSKMNSA-N |
| Literature Reference DOI |
10.1002/hlca.200900238 |
| Molecular Weight |
318.457 g/mol |
| SMILES |
OC([C@@]1(CCC[C@@]([C@]1(CCc1cccc(c1)C(C)C)[H])(C)O)C)=O |
| SPLASH |
splash10-0002-0900000000-10536b83260d45348f41 |
| Source of Spectrum |
H-93-495-2 |
| Wiley ID |
1785816 |
![rel-(1R,2S,3R)-3-Hydroxy-1,3-dimethyl-2-{2-[3-(1-methylethyl)phenyl]ethyl}cyclohexanecarboxylic Acid](/api/spectrum/5449TykcG2o/structure.png?h=300&w=458 "rel-(1R,2S,3R)-3-Hydroxy-1,3-dimethyl-2-{2-[3-(1-methylethyl)phenyl]ethyl}cyclohexanecarboxylic Acid")
