AG0028WY

20347-71-1 | 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-

AG0028WY

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CAS Number	20347-71-1
Catalog Number	AG0028WY(AGN-PC-0WAMV2)
Chemical Name	2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-
IUPAC Name	2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
InChI	InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2
InChI Key	HGVVOUNEGQIPMS-UHFFFAOYSA-N
MDL Number	MFCD01662851
Molecular Formula	C30H26O13
Molecular Weight	594.5196
SMILES	OC1C(OC2C(C3=CC=C(O)C(O)=C3)OC4=C(C(O)=CC(O)=C4)C2)(C5=CC=C(O)C(O)=C5)OC6=C(C(O)=CC(O)=C6)C1O
Synonyms	2H-1-benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-, A-type procyanidin, epicatechin-4alpha,8-epicatechin, procyanidin, procyanidin type A, procyanidin, (2R-(2alpha,3alpha,4alpha(2'R*,3'S*)))-isomer, procyanidin, (2R-(2alpha,3beta,4beta(2R*,3R*)))-isomer, procyanidine, type A procyanidin, Procyanidin, 4852-22-6, 20347-71-1, C30H26O13, BRN 1675863, 2-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl)oxy)chroman-3,4,5,7-tetraol, 2-(3,4-Dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol, Procyanidins, 3,3',4,4',5,7-Flavanhexol, 2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl)oxy)-, 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-3,4-dihydro-, 2-(3,4-dihydroxyphenyl)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-chromane-3,4,5,7-tetrol, epicatechin-4alpha,8-epicatechin, 2H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-, AC1Q7ACM, AC1L32WW, Procyanidin, Technical grade, Procyanidin B-5 3'-O-gallate, SCHEMBL15091123, KS-00000PUZ, DTXSID90858698, BCP25503, HY-N0794, MFCD01662851, AKOS025402316, AC-8032, AN-8386, 2-(3,4-dihydroxyphenyl)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl]oxy}chromane-3,4,5,7-tetrol, AK321485, LS-39919, CS-0009805, FT-0688150, X1211, Y0170, 852P226, 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol, Proanthocyanidins, amurensisin, procyanidine, Endotelon, Vitisinol, Condensed Tannin, Procyanidin B5, Condensed Tannins, Tannin, Condensed, A-type procyanidin, procyanidin type A, type A procyanidin, Tannins, Condensed, Anthocyanidin Polymers, Polymers, Anthocyanidin, AR-1C7081, C31H28O12, CID107876, C30-H26-O13, C017674, D044945, procyanidin, (2R-(2alpha,3beta,4beta(2R*,3R*)))-isomer, procyanidin, (2R-(2alpha,3alpha,4alpha(2'R*,3'S*)))-isomer, 274678-42-1, 5110-85-0,

Complexity	957
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	594.137g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	594.525g/mol
Monoisotopic Mass	594.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	230A^2
Undefined Atom Stereocenter Count	5
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number