| SpectraBase Spectrum ID |
9bgJj3R0a2J |
| Name |
(2RS,3RS,6RS,E)-Ethyl 4,6-dimethyl-7-methoxy-2-(4-methoxyphenylsulfanyl)-3-phenylethylhept-4-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O4S |
| InChI |
InChI=1S/C27H36O4S/c1-6-31-27(28)26(32-24-15-13-23(30-5)14-16-24)25(21(3)18-20(2)19-29-4)17-12-22-10-8-7-9-11-22/h7-11,13-16,18,20,25-26H,6,12,17,19H2,1-5H3/b21-18+ |
| InChIKey |
HAFQLWZZJJQLRW-DYTRJAOYSA-N |
| Molecular Weight |
456.641 g/mol |
| SMILES |
C(C(\C(=C\C(COC)C)C)CCc1ccccc1)(C(=O)OCC)Sc1ccc(cc1)OC |
| SPLASH |
splash10-052r-0900700000-1cc693df93865724d385 |
| Source of Spectrum |
KC-0-374-56 |
| Synonyms |
(2RS,3SR,6SR,E)-Ethyl 7-methoxy-2-(4-methoxyphenylsulfanyl)-4,6-dimethyl-3-(2'-phenylethyl)hept-4-enoate
ethyl (4E)-7-methoxy-2-[(4-methoxyphenyl)sulfanyl]-4,6-dimethyl-3-(2-phenylethyl)-4-heptenoate |
| Wiley ID |
785030 |
