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2H-1-Benzopyran-3-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-6,8-bis[(2-methoxyp henyl)methyl]-, (2R-trans)-
SpectraBase Compound ID GiVreXBCl0I
InChI InChI=1S/C35H38O8/c1-37-28-13-9-7-11-21(28)17-24-33(41-5)25(18-22-12-8-10-14-29(22)38-2)35-26(34(24)42-6)20-27(36)32(43-35)23-15-16-30(39-3)31(19-23)40-4/h7-16,19,27,32,36H,17-18,20H2,1-6H3/t27-,32+/m0/s1
InChIKey WNCHQXWJWBQQPC-QVWWMRLHSA-N
Mol Weight 586.7 g/mol
Molecular Formula C35H38O8
Exact Mass 586.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19hdRtfWueF
Name 2H-1-Benzopyran-3-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-6,8-bis[(2-methoxyp henyl)methyl]-, (2R-trans)-
Alternate Name(s) (2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-6,8-bis(2-methoxybenzyl)-3,4-dihydro-2H-chromen-3-ol 6,8-bis(o-methoxybenzyl)-3',4',5,7-tetra-O-methyl-(+)-Catechin
CAS Registry Number 81425-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H38O8
InChI InChI=1S/C35H38O8/c1-37-28-13-9-7-11-21(28)17-24-33(41-5)25(18-22-12-8-10-14-29(22)38-2)35-26(34(24)42-6)20-27(36)32(43-35)23-15-16-30(39-3)31(19-23)40-4/h7-16,19,27,32,36H,17-18,20H2,1-6H3/t27-,32+/m0/s1
InChIKey WNCHQXWJWBQQPC-QVWWMRLHSA-N
Molecular Weight 586.681 g/mol
SMILES O[C@@]1([C@](Oc2c(c(OC)c(c(c2Cc2c(OC)cccc2)OC)Cc2c(OC)cccc2)C1)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-00di-0910210000-0be506ee229fb34bbe97
Source of Spectrum KC-1982-976-0
Wiley ID 1409063