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PFTAWBLQPZVEMU-DZGCQCFKSA-N

View entire compound with spectra: 28 NMR, 2 FTIR, and 6 MS (GC)

PFTAWBLQPZVEMU-DZGCQCFKSA-N
SpectraBase Compound ID 3mPnegatVgR
InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-N
Mol Weight 290.27 g/mol
Molecular Formula C15H14O6
Exact Mass 290.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKGhvKY5bEh
Name 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
CAS Registry Number 154-23-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O6
InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChIKey PFTAWBLQPZVEMU-DZGCQCFKSA-N
Molecular Weight 290.271 g/mol
SMILES Oc1cc(cc2c1C[C@@]([C@](O2)(c1cc(O)c(cc1)O)[H])(O)[H])O
SPLASH splash10-000l-0980000000-573a2de1eaf039d2db2e
Source of Spectrum QA-44-324-25
Synonyms (+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol (+)-Catechin 2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol (+)-Catechol (+)-Cianidanol (+)-Cyanidan-3-ol (+)-Cyanidanol (+)-Cyanidanol-3 (2R,3S)-(+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol (2R-trans)-2-(3,4-dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-catechin (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans) 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)- 2H-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)- 3,3',4',5,7-Flavanpentol 3-Cyanidanol, (+)- Biocatechin Catechin Catechin (flavan) Catechin, D Catechinic acid Catechol (+) Catechol (flavan) Catechuic acid Catergen Cianidanol Cianidanolum Cianidol Cyanidanol D-(+)-Catechin D-catechin D-Catechol Dexcyanidanol KB-53 Sunkatol no. 1 Teafuran 30a trans-(+)-3,3',4',5,7-Flavanpentol AI3-22757 CCRIS 6855 EINECS 205-825-1 ND-0342 NSC 2819
Wiley ID 862427