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2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, ester with 5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-2,3-dihydro-7-[(2,3,4-tri-O-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one, (S)-
SpectraBase Compound ID KHKLQZG1M55
InChI InChI=1S/C42H40O18/c1-21(43)52-29-12-7-27(8-13-29)9-16-37(50)51-20-36-39(55-24(4)46)40(56-25(5)47)41(57-26(6)48)42(60-36)58-31-17-34(54-23(3)45)38-32(49)19-33(59-35(38)18-31)28-10-14-30(15-11-28)53-22(2)44/h7-18,33,36,39-42H,19-20H2,1-6H3/b16-9+
InChIKey LYRXDBJAJWNPBZ-CXUHLZMHSA-N
Mol Weight 832.8 g/mol
Molecular Formula C42H40O18
Exact Mass 832.221464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I96OaYGpX4R
Name 2-Propenoic acid, 3-[4-(acetyloxy)phenyl]-, ester with 5-(acetyloxy)-2-[4-(acetyloxy)phenyl]-2,3-dihydro-7-[(2,3,4-tri-O-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one, (S)-
CAS Registry Number 75659-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H40O18
InChI InChI=1S/C42H40O18/c1-21(43)52-29-12-7-27(8-13-29)9-16-37(50)51-20-36-39(55-24(4)46)40(56-25(5)47)41(57-26(6)48)42(60-36)58-31-17-34(54-23(3)45)38-32(49)19-33(59-35(38)18-31)28-10-14-30(15-11-28)53-22(2)44/h7-18,33,36,39-42H,19-20H2,1-6H3/b16-9+
InChIKey LYRXDBJAJWNPBZ-CXUHLZMHSA-N
Molecular Weight 832.764 g/mol
SMILES CC(=O)OC1C(COC(=O)\C=C\c2ccc(OC(C)=O)cc2)OC(Oc2cc3c(C(=O)CC(O3)c3ccc(OC(C)=O)cc3)c(OC(C)=O)c2)C(OC(C)=O)C1OC(C)=O
SPLASH splash10-05tn-3900000000-223a9380255cde988ac4
Source of Spectrum W5-1989-65015-521
Synonyms [3,4,5-triacetoxy-6-[5-acetoxy-2-(4-acetoxyphenyl)-4-oxo-chroman-7-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(4-acetoxyphenyl)prop-2-enoate [3,4,5-triacetyloxy-6-[[5-acetyloxy-2-(4-acetyloxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate [3,4,5-triacetyloxy-6-[[5-acetyloxy-2-(4-acetyloxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate (E)-3-(4-acetyloxyphenyl)-2-propenoic acid [3,4,5-triacetyloxy-6-[[5-acetyloxy-2-(4-acetyloxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-2-oxanyl]methyl ester
Wiley ID 1417549