| SpectraBase Spectrum ID |
HdsxE4EwFVm |
| Name |
(3S,4R)-3-hydroxy-2,2,6-trimethyl-4-(phenylthio)enanthic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H26O3S |
| InChI |
InChI=1S/C17H26O3S/c1-12(2)11-14(21-13-9-7-6-8-10-13)15(18)17(3,4)16(19)20-5/h6-10,12,14-15,18H,11H2,1-5H3/t14-,15-/m1/s1 |
| InChIKey |
NJVPQKUAVALXOB-HUUCEWRRSA-N |
| Molecular Weight |
310.452 g/mol |
| SMILES |
O[C@@](C(C(=O)OC)(C)C)([C@](Sc1ccccc1)(CC(C)C)[H])[H] |
| SPLASH |
splash10-0089-0900000000-801a10ab289dac9e703e |
| Source of Spectrum |
KC-0-545-53 |
| Synonyms |
(3S,4R)-3-hydroxy-2,2,6-trimethyl-4-(phenylthio)heptanoic acid methyl ester
Methyl (3S,4R)-2,2,6-trimethyl-3-oxidanyl-4-phenylsulfanyl-heptanoate
Methyl (3S,4R)-3-hydroxy-2,2,6-trimethyl-4-phenylsulfanylheptanoate |
| Wiley ID |
829995 |
