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Ethyl (6RS)-3,5-dideoxy-1,2-o-isopropylidene-5-c-[(methoxy)(phenylthio)methyl]-.alpha.-d-xylo-hept-5-(Z,E)-enofuranuronate

View entire compound with spectra: 1 MS (GC)

Ethyl (6RS)-3,5-dideoxy-1,2-o-isopropylidene-5-c-[(methoxy)(phenylthio)methyl]-.alpha.-d-xylo-hept-5-(Z,E)-enofuranuronate
SpectraBase Compound ID LOGY1SOzzKO
InChI InChI=1S/C20H26O6S/c1-5-23-17(21)11-14(19(22-4)27-13-9-7-6-8-10-13)15-12-16-18(24-15)26-20(2,3)25-16/h6-11,15-16,18-19H,5,12H2,1-4H3/b14-11-/t15-,16+,18+,19?/m0/s1
InChIKey QTKAQAIFCZHEKM-IKJUHYHESA-N
Mol Weight 394.48 g/mol
Molecular Formula C20H26O6S
Exact Mass 394.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoSMQQtgUKZ
Name Ethyl (6RS)-3,5-dideoxy-1,2-o-isopropylidene-5-c-[(methoxy)(phenylthio)methyl]-.alpha.-d-xylo-hept-5-(Z,E)-enofuranuronate
CAS Registry Number 124753-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6S
InChI InChI=1S/C20H26O6S/c1-5-23-17(21)11-14(19(22-4)27-13-9-7-6-8-10-13)15-12-16-18(24-15)26-20(2,3)25-16/h6-11,15-16,18-19H,5,12H2,1-4H3/b14-11-/t15-,16+,18+,19?/m0/s1
InChIKey QTKAQAIFCZHEKM-IKJUHYHESA-N
Molecular Weight 394.482 g/mol
SMILES [C@]1(\C(C(Sc2ccccc2)OC)=C\C(=O)OCC)(O[C@@]2(OC(O[C@@]2(C1)[H])(C)C)[H])[H]
SPLASH splash10-000l-9480000000-3288000ec27e91a63c45
Source of Spectrum F-45-1487-30
Synonyms Ethyl (2Z)-3-[(3aR,5S,6aR)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-4-methoxy-4-(phenylsulfanyl)but-2-enoate
Wiley ID 1366563