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2H-1-Benzopyran-3-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-8-[(2-methoxyphenyl)methyl]-, (2R-trans)-
SpectraBase Compound ID CxmyJNFotp7
InChI InChI=1S/C27H30O7/c1-29-21-9-7-6-8-16(21)12-18-23(31-3)15-24(32-4)19-14-20(28)26(34-27(18)19)17-10-11-22(30-2)25(13-17)33-5/h6-11,13,15,20,26,28H,12,14H2,1-5H3/t20-,26+/m0/s1
InChIKey AXHAMTRCZUBSSA-RXFWQSSRSA-N
Mol Weight 466.53 g/mol
Molecular Formula C27H30O7
Exact Mass 466.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Em4QFIzm7Qq
Name 2H-1-Benzopyran-3-ol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-8-[(2-methoxyphenyl)methyl]-, (2R-trans)-
Alternate Name(s) (2R,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methoxybenzyl)-3,4-dihydro-2H-chromen-3-ol 8-(o-methoxybenzyl)-3',4',5,7-tetra-O-methyl-(+)-Catechin
CAS Registry Number 81410-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O7
InChI InChI=1S/C27H30O7/c1-29-21-9-7-6-8-16(21)12-18-23(31-3)15-24(32-4)19-14-20(28)26(34-27(18)19)17-10-11-22(30-2)25(13-17)33-5/h6-11,13,15,20,26,28H,12,14H2,1-5H3/t20-,26+/m0/s1
InChIKey AXHAMTRCZUBSSA-RXFWQSSRSA-N
Molecular Weight 466.530 g/mol
SMILES O[C@@]1([C@](Oc2c(C1)c(OC)cc(c2Cc1c(OC)cccc1)OC)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-0109-0920100000-a28bece55074f485741f
Source of Spectrum KC-1982-977-0
Wiley ID 1391988