| SpectraBase Spectrum ID |
DCOMXHGjfKB |
| Name |
(2,6-dimethylphenyl) (2R,3S,4S)-2,4,7-trimethyl-3-oxidanyl-4-phenylsulfanyl-octanoate |
| Alternate Name(s) |
(2,6-dimethylphenyl) (2R,3S,4S)-3-hydroxy-2,4,7-trimethyl-4-phenylsulfanyl-octanoate
(2R,3S,4S)-3-hydroxy-2,4,7-trimethyl-4-(phenylthio)caprylic acid (2,6-dimethylphenyl) ester
(2R,3S,4S)-3-hydroxy-2,4,7-trimethyl-4-(phenylthio)octanoic acid (2,6-dimethylphenyl) ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O3S |
| InChI |
InChI=1S/C25H34O3S/c1-17(2)15-16-25(6,29-21-13-8-7-9-14-21)23(26)20(5)24(27)28-22-18(3)11-10-12-19(22)4/h7-14,17,20,23,26H,15-16H2,1-6H3/t20-,23+,25+/m1/s1 |
| InChIKey |
MVQNHTINMKOETD-PBXXJUDPSA-N |
| Molecular Weight |
414.604 g/mol |
| SMILES |
O[C@]([C@@](Sc1ccccc1)(CCC(C)C)C)([C@](C(Oc1c(cccc1C)C)=O)(C)[H])[H] |
| SPLASH |
splash10-05fr-0920000000-d88191733031e2ce7a62 |
| Source of Spectrum |
KC-0-540-37 |
| Wiley ID |
830023 |
