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Acetic acid, [[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromanyl]thio]-, methyl ester, trans-2,3,trans-2,4-(+)-
SpectraBase Compound ID wEWRZ584FX
InChI InChI=1S/C21H24O7S/c1-24-13-6-7-14-16(10-13)28-20(19(23)21(14)29-11-18(22)27-4)12-5-8-15(25-2)17(9-12)26-3/h5-10,19-21,23H,11H2,1-4H3
InChIKey NNPRHQSMDVDHJI-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C21H24O7S
Exact Mass 420.124274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvjgCsYc7rC
Name Acetic acid, [[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromanyl]thio]-, methyl ester, trans-2,3,trans-2,4-(+)-
CAS Registry Number 30906-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7S
InChI InChI=1S/C21H24O7S/c1-24-13-6-7-14-16(10-13)28-20(19(23)21(14)29-11-18(22)27-4)12-5-8-15(25-2)17(9-12)26-3/h5-10,19-21,23H,11H2,1-4H3
InChIKey NNPRHQSMDVDHJI-UHFFFAOYSA-N
Molecular Weight 420.476 g/mol
SMILES OC1C(c2ccc(c(c2)OC)OC)Oc2cc(ccc2C1SCC(=O)OC)OC
SPLASH splash10-014l-0942000000-9d17c427344b9039459a
Source of Spectrum EP-2124-0-0
Synonyms Methyl ([2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl)acetate 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl]thio]acetic acid methyl ester 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chroman-4-yl]thio]acetic acid methyl ester Methyl 2-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-chroman-4-yl]sulfanylacetate Methyl 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]acetate Methyl 2-[[2-(3,4-dimethoxyphenyl)-7-methoxy-3-oxidanyl-3,4-dihydro-2H-chromen-4-yl]sulfanyl]ethanoate
Wiley ID 1377875