| SpectraBase Spectrum ID |
rR2b0qqUUL |
| Name |
(2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-(phenylthio)heptanethioic acid S-phenyl ester |
| Alternate Name(s) |
S-phenyl (2S,3S,4R)-2,6-dimethyl-3-oxidanyl-4-phenylsulfanyl-heptanethioate
S-phenyl (2S,3S,4R)-3-hydroxy-2,6-dimethyl-4-phenylsulfanylheptanethioate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2S2 |
| InChI |
InChI=1S/C21H26O2S2/c1-15(2)14-19(24-17-10-6-4-7-11-17)20(22)16(3)21(23)25-18-12-8-5-9-13-18/h4-13,15-16,19-20,22H,14H2,1-3H3/t16-,19+,20-/m0/s1 |
| InChIKey |
XBYPBPYPQOWFLI-DBVUQKKJSA-N |
| Molecular Weight |
374.557 g/mol |
| SMILES |
O[C@]([C@](Sc1ccccc1)(CC(C)C)[H])([C@@](C(Sc1ccccc1)=O)(C)[H])[H] |
| SPLASH |
splash10-0829-0940000000-51e451f766a12b61aef7 |
| Source of Spectrum |
KC-0-544-46 |
| Wiley ID |
830006 |
