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2H-1-Benzopyran-3,5,7-triol, 6,8-bis[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4 -dihydro-, triacetate, (2R-trans)-
SpectraBase Compound ID LM2cnAqGUGR
InChI InChI=1S/C43H40O15/c1-22(44)51-35-14-10-8-12-29(35)18-32-41(56-27(6)49)33(19-30-13-9-11-15-36(30)52-23(2)45)43-34(42(32)57-28(7)50)21-39(55-26(5)48)40(58-43)31-16-17-37(53-24(3)46)38(20-31)54-25(4)47/h8-17,20,39-40H,18-19,21H2,1-7H3/t39-,40+/m0/s1
InChIKey IUKNQFBTUVRHRH-IOLBBIBUSA-N
Mol Weight 796.8 g/mol
Molecular Formula C43H40O15
Exact Mass 796.236721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOQVmD7udaI
Name 2H-1-Benzopyran-3,5,7-triol, 6,8-bis[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4 -dihydro-, triacetate, (2R-trans)-
CAS Registry Number 81410-25-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H40O15
InChI InChI=1S/C43H40O15/c1-22(44)51-35-14-10-8-12-29(35)18-32-41(56-27(6)49)33(19-30-13-9-11-15-36(30)52-23(2)45)43-34(42(32)57-28(7)50)21-39(55-26(5)48)40(58-43)31-16-17-37(53-24(3)46)38(20-31)54-25(4)47/h8-17,20,39-40H,18-19,21H2,1-7H3/t39-,40+/m0/s1
InChIKey IUKNQFBTUVRHRH-IOLBBIBUSA-N
Molecular Weight 796.778 g/mol
SMILES c12c(c(OC(=O)C)c(c(c2Cc2c(OC(=O)C)cccc2)OC(=O)C)Cc2c(OC(=O)C)cccc2)C[C@@]([C@](O1)(c1cc(OC(=O)C)c(cc1)OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0a4j-0901023000-75fe47c865fd8141fe68
Source of Spectrum KC-1982-977-0
Synonyms 2-(acetyloxy)-4-{(2R,3S)-3,5,7-tris(acetyloxy)-6,8-bis[2-(acetyloxy)benzyl]-3,4-dihydro-2H-chromen-2-yl}phenyl acetate 6,8-bis(o-acetoxybenzyl)-3,3',4',5,7-penta-O-acetyl-(+)-Catechin
Wiley ID 1417116