| SpectraBase Spectrum ID |
KaoQSGN2FmH |
| Name |
(2S,3S)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-(2-oxo-5-tert-butylcyclohexyl)propanoate |
| Alternate Name(s) |
(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2S)-2-[(1S,5R)-5-tert-butyl-2-oxocyclohexyl]-2-hydroxypropanoate
(S)-2-((1S,5R)-5-tert-Butyl-2-oxo-cyclohexyl)-2-hydroxy-propionic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44O4 |
| InChI |
InChI=1S/C29H44O4/c1-19-13-15-22(28(5,6)20-11-9-8-10-12-20)25(17-19)33-26(31)29(7,32)23-18-21(27(2,3)4)14-16-24(23)30/h8-12,19,21-23,25,32H,13-18H2,1-7H3/t19-,21-,22-,23-,25-,29+/m1/s1 |
| InChIKey |
LKUDUCZDIIXKHB-JYPKVCGHSA-N |
| Molecular Weight |
456.667 g/mol |
| SMILES |
O[C@@]([C@@]1(C[C@](C(C)(C)C)(CCC1=O)[H])[H])(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)C |
| SPLASH |
splash10-014i-0900000000-39949898359477bc6b9b |
| Source of Spectrum |
KC-1993-1740-21 |
| Wiley ID |
778416 |
