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2H-1-Benzopyran-3,5,7-triol, 8-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
SpectraBase Compound ID FTEc68wTFx
InChI InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30(44-20(4)38)26-15-32(46-22(6)40)33(47-34(25)26)24-11-12-28(42-18(2)36)31(14-24)45-21(5)39/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey REWOWRLZEKSJIK-JHOUSYSJSA-N
Mol Weight 648.6 g/mol
Molecular Formula C34H32O13
Exact Mass 648.184291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Guhu0QYw2jl
Name 2H-1-Benzopyran-3,5,7-triol, 8-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
CAS Registry Number 81410-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32O13
InChI InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30(44-20(4)38)26-15-32(46-22(6)40)33(47-34(25)26)24-11-12-28(42-18(2)36)31(14-24)45-21(5)39/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey REWOWRLZEKSJIK-JHOUSYSJSA-N
Molecular Weight 648.617 g/mol
SMILES c12c(c(OC(=O)C)cc(c2Cc2c(OC(=O)C)cccc2)OC(=O)C)C[C@@]([C@](O1)(c1cc(OC(=O)C)c(cc1)OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0udj-0904280000-03ec99469a9dd08c940a
Source of Spectrum KC-1982-977-0
Synonyms 2-(acetyloxy)-4-{(2R,3S)-3,5,7-tris(acetyloxy)-8-[2-(acetyloxy)benzyl]-3,4-dihydro-2H-chromen-2-yl}phenyl acetate 8-(o-acetoxybenzyl)-3,3',4',5,7-penta-O-acetyl-(+)-Catechin
Wiley ID 1413010