| SpectraBase Spectrum ID |
AaNFGbElvyB |
| Name |
(2S,3R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-(2-oxocyclohexyl)propanoate |
| Alternate Name(s) |
(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2S)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]propanoate
(S)-2-Hydroxy-2-((R)-2-oxo-cyclohexyl)-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 |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-17-14-15-20(24(2,3)18-10-6-5-7-11-18)22(16-17)29-23(27)25(4,28)19-12-8-9-13-21(19)26/h5-7,10-11,17,19-20,22,28H,8-9,12-16H2,1-4H3/t17-,19+,20-,22-,25+/m1/s1 |
| InChIKey |
ODELIVUMAOZNSL-VZOWGRACSA-N |
| Molecular Weight |
400.559 g/mol |
| SMILES |
O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)([C@@]1(C(=O)CCCC1)[H])C |
| SPLASH |
splash10-014i-0900000000-be1b1e95679775c2b4aa |
| Source of Spectrum |
KC-1993-1739-20 |
| Wiley ID |
778419 |
