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Acetic acid, [[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromanyl]thio]-, methyl ester, acetate, trans-2,3,trans-2,4-(+)-
SpectraBase Compound ID BhHfjeIRvz1
InChI InChI=1S/C23H26O8S/c1-13(24)30-22-21(14-6-9-17(27-3)19(10-14)28-4)31-18-11-15(26-2)7-8-16(18)23(22)32-12-20(25)29-5/h6-11,21-23H,12H2,1-5H3
InChIKey ABQFNQJZYKLBRN-UHFFFAOYSA-N
Mol Weight 462.51 g/mol
Molecular Formula C23H26O8S
Exact Mass 462.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHB1bic6xTS
Name Acetic acid, [[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-4-chromanyl]thio]-, methyl ester, acetate, trans-2,3,trans-2,4-(+)-
CAS Registry Number 30655-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8S
InChI InChI=1S/C23H26O8S/c1-13(24)30-22-21(14-6-9-17(27-3)19(10-14)28-4)31-18-11-15(26-2)7-8-16(18)23(22)32-12-20(25)29-5/h6-11,21-23H,12H2,1-5H3
InChIKey ABQFNQJZYKLBRN-UHFFFAOYSA-N
Molecular Weight 462.513 g/mol
SMILES CC(=O)OC1C(c2ccc(c(c2)OC)OC)Oc2cc(ccc2C1SCC(=O)OC)OC
SPLASH splash10-0002-0492100000-80911cd87359f9d6cd6c
Source of Spectrum EP-2125-0-0
Synonyms Methyl ([3-(acetyloxy)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl)acetate 2-[[3-acetoxy-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-4-yl]thio]acetic acid methyl ester 2-[[3-acetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl]thio]acetic acid methyl ester Methyl 2-[3-acetoxy-2-(3,4-dimethoxyphenyl)-7-methoxy-chroman-4-yl]sulfanylacetate Methyl 2-[[3-acetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]acetate Methyl 2-[[3-acetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]sulfanyl]ethanoate
Wiley ID 1390967