| SpectraBase Spectrum ID |
InUHcGBb6ca |
| Name |
(2S,3S,4R)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-(phenylthio)hexane-1,3-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O4S |
| InChI |
InChI=1S/C21H26O4S/c1-15(13-22)20(23)21(2,26-17-6-4-3-5-7-17)11-10-16-8-9-18-19(12-16)25-14-24-18/h3-9,12,15,20,22-23H,10-11,13-14H2,1-2H3/t15-,20-,21+/m0/s1 |
| InChIKey |
MKLMQLFZMYFMOI-ONGXBYRLSA-N |
| Molecular Weight |
374.495 g/mol |
| SMILES |
OC[C@@]([C@@]([C@](Sc1ccccc1)(CCc1cc2OCOc2cc1)C)(O)[H])(C)[H] |
| SPLASH |
splash10-000i-0900000000-da5d7b9719bf5f0e69d7 |
| Source of Spectrum |
KC-0-542-41 |
| Synonyms |
(2S,3S,4R)-6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-4-phenylsulfanyl-hexane-1,3-diol |
| Wiley ID |
830017 |
