For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl ester of (1.alpha.,4a.beta.,6.beta.,7.beta.,7a.beta.)-(+-)-6-(acetyloxy)-7-((ethylthio)methyl)-1,4a,5,6,7,7a-hexahydro-1-methoxy-cyclopenta(c)pyran-4-carboxylic acid
SpectraBase Compound ID KyPleF58cRv
InChI InChI=1S/C16H24O6S/c1-5-23-8-12-13(22-9(2)17)6-10-11(15(18)19-3)7-21-16(20-4)14(10)12/h7,10,12-14,16H,5-6,8H2,1-4H3/t10-,12+,13+,14+,16+/m1/s1
InChIKey FUMHXMXBSBGYLB-NINOMIRCSA-N
Mol Weight 344.42 g/mol
Molecular Formula C16H24O6S
Exact Mass 344.12936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7wQ7zF9kWKU
Name Methyl ester of (1.alpha.,4a.beta.,6.beta.,7.beta.,7a.beta.)-(+-)-6-(acetyloxy)-7-((ethylthio)methyl)-1,4a,5,6,7,7a-hexahydro-1-methoxy-cyclopenta(c)pyran-4-carboxylic acid
CAS Registry Number 74742-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O6S
InChI InChI=1S/C16H24O6S/c1-5-23-8-12-13(22-9(2)17)6-10-11(15(18)19-3)7-21-16(20-4)14(10)12/h7,10,12-14,16H,5-6,8H2,1-4H3/t10-,12+,13+,14+,16+/m1/s1
InChIKey FUMHXMXBSBGYLB-NINOMIRCSA-N
Molecular Weight 344.422 g/mol
SMILES C=1([C@@]2([C@]([C@@](CSCC)([C@](C2)(OC(=O)C)[H])[H])([H])[C@](OC1)(OC)[H])[H])C(=O)OC
SPLASH splash10-004i-9774000000-872c260f631fcb474577
Source of Spectrum J-45-4236-0
Synonyms Methyl (1S,4aS,6S,7R,7aS)-6-(acetyloxy)-7-[(ethylsulfanyl)methyl]-1-methoxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1337692