| SpectraBase Spectrum ID |
BljuS01VdyI |
| Name |
Acetic acid ((2S,5R)-2-methoxymethoxymethyl-5-methyl-tetrahydro-pyran-2-yl)-p-tolylsulfanyl-methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28O5S |
| InChI |
InChI=1S/C19H28O5S/c1-14-5-7-17(8-6-14)25-18(24-16(3)20)19(12-22-13-21-4)10-9-15(2)11-23-19/h5-8,15,18H,9-13H2,1-4H3/t15-,18?,19+/m1/s1 |
| InChIKey |
CSSJELVOEDZROB-JNBCYNBSSA-N |
| Molecular Weight |
368.488 g/mol |
| SMILES |
[C@]1(C(OC(=O)C)Sc2ccc(cc2)C)(OC[C@@](CC1)(C)[H])COCOC |
| SPLASH |
splash10-00di-0900000000-3beecb6b3fff7a089adf |
| Source of Spectrum |
F-54-13100-12 |
| Synonyms |
(2S,5R,Rs)-2-[1-Acetoxy-1-(p-tolylthio)methyl]-2-(methoxymethoxymethyl)-5-methyltetrahydropyran
(S)-{(2S,5R)-2-[(methoxymethoxy)methyl]-5-methyltetrahydro-2H-pyran-2-yl}[(4-methylphenyl)sulfanyl]methyl acetate |
| Wiley ID |
809424 |
