| SpectraBase Spectrum ID |
CqO9AUgOwIq |
| Name |
(4R,5R)-3-ethyl 1,1-dimethyl 5-isopropyl-4-(phenylthiomethyl)cyclopentane-1,1,3-tricarboxylate |
| Alternate Name(s) |
(4R,5R)-3-ethyl 1,1-dimethyl 5-isopropyl-4-((phenylthio)methyl)cyclopentane-1,1,3-tricarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O6S |
| InChI |
InChI=1S/C22H30O6S/c1-6-28-19(23)16-12-22(20(24)26-4,21(25)27-5)18(14(2)3)17(16)13-29-15-10-8-7-9-11-15/h7-11,14,16-18H,6,12-13H2,1-5H3/t16?,17-,18+/m0/s1 |
| InChIKey |
VWIWQDCFSVACPY-UQJFVLDMSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
422.536 g/mol |
| SMILES |
C1(C(=O)OC)(C(=O)OC)[C@](C(C)C)([C@@](CSc2ccccc2)(C(C1)C(OCC)=O)[H])[H] |
| SPLASH |
splash10-05fr-3930000000-c6bb5ce2ca4c547e3b1b |
| Source of Spectrum |
ASC-347-1587/SM12-3l_major |
| Wiley ID |
1767772 |
