| SpectraBase Spectrum ID |
4mDgNLb5bzO |
| Name |
Benzeneacetic acid, 3-(1,1-dimethylethyl)-.alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]- |
| Alternate Name(s) |
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2S)-2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxypropanoate |
| CAS Registry Number |
113322-88-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-14(2)16-12-11-15(3)13-19(16)27-21(25)23(7,26)18-10-8-9-17(20(18)24)22(4,5)6/h8-10,14-16,19,24,26H,11-13H2,1-7H3/t15-,16+,19-,23-/m0/s1 |
| InChIKey |
QLNONYGODUYXSI-KOCGSJPCSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
O[C@@](c1c(c(ccc1)C(C)(C)C)O)(C(O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])=O)C |
| SPLASH |
splash10-002f-0900000000-bf7c246c1d7edec590d4 |
| Source of Spectrum |
J-53-1784-5 |
| Wiley ID |
1357973 |
![Benzeneacetic acid, 3-(1,1-dimethylethyl)-.alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-](/api/spectrum/4mDgNLb5bzO/structure.png?h=300&w=458 "Benzeneacetic acid, 3-(1,1-dimethylethyl)-.alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-")
