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2-Propenoic acid, 3-phenyl-, ester with 3-methyl-2-[(2,3,4-tri-o-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-pyran -4-one, (E)-
SpectraBase Compound ID Hg5OFlwp9AX
InChI InChI=1S/C27H28O12/c1-15-20(31)12-13-33-26(15)39-27-25(37-18(4)30)24(36-17(3)29)23(35-16(2)28)21(38-27)14-34-22(32)11-10-19-8-6-5-7-9-19/h5-13,21,23-25,27H,14H2,1-4H3/b11-10+
InChIKey HDJVIWHDEGYPII-ZHACJKMWSA-N
Mol Weight 544.51 g/mol
Molecular Formula C27H28O12
Exact Mass 544.158076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzusJ7BWW48
Name 2-Propenoic acid, 3-phenyl-, ester with 3-methyl-2-[(2,3,4-tri-O-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-pyran -4-one, (E)-
CAS Registry Number 84888-59-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c1-15-20(31)12-13-33-26(15)39-27-25(37-18(4)30)24(36-17(3)29)23(35-16(2)28)21(38-27)14-34-22(32)11-10-19-8-6-5-7-9-19/h5-13,21,23-25,27H,14H2,1-4H3/b11-10+
InChIKey HDJVIWHDEGYPII-ZHACJKMWSA-N
Molecular Weight 544.509 g/mol
SMILES C1(C(C(OC(=O)C)C(OC1OC1=C(C(=O)C=CO1)C)COC(\C=C\c1ccccc1)=O)OC(=O)C)OC(=O)C
SPLASH splash10-001l-6910000000-f932a9ddaec784f15e09
Source of Spectrum H-65-2484-0
Synonyms 3-Methyl-4-oxo-4H-pyran-2-yl 2,3,4-tri-O-acetyl-6-O-[(2E)-3-phenyl-2-propenoyl]hexopyranoside Triacetate of 2-[6'-(o-trans-cinnamoyl)-.beta.-D-glucopyranosyloxy]-3-methyl-4H-pyran-4-one
Wiley ID 1405024