| SpectraBase Spectrum ID |
5jtWJs0F0zW |
| Name |
(2S,3R)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] 4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O5 |
| InChI |
InChI=1S/C24H36O5/c1-7-18(21(25)28-6)24(5,27)22(26)29-20-15-16(2)13-14-19(20)23(3,4)17-11-9-8-10-12-17/h8-12,16,18-20,27H,7,13-15H2,1-6H3/t16-,18+,19-,20-,24+/m1/s1 |
| InChIKey |
VCKOZFBWAWZSET-UYVXCEDXSA-N |
| Molecular Weight |
404.547 g/mol |
| SMILES |
O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)([C@](C(=O)OC)(CC)[H])C |
| SPLASH |
splash10-014i-0900000000-8b3846a889922e18e3c0 |
| Source of Spectrum |
KC-1993-1739-16 |
| Synonyms |
(2S,3R)-3-Ethyl-2-hydroxy-2-methyl-succinic acid 4-methyl ester 1-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl]ester
4-methyl 1-[5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl](2S,3R)-3-ethyl-2-hydroxy-2-methylbutanedioate |
| Wiley ID |
778423 |
![(2S,3R)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] 4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate](/api/spectrum/5jtWJs0F0zW/structure.png?h=300&w=458 "(2S,3R)-1-[5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl] 4-methyl 3-ethyl-2-hydroxy-2-methylbutandioate")
