AG0028PD

20315-25-7 | [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'S,4R)-

AG0028PD

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CAS Number	20315-25-7
Catalog Number	AG0028PD(AGN-PC-0QTIG6)
Chemical Name	[4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'S,4R)-
IUPAC Name	(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
InChI	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1
InChI Key	XFZJEEAOWLFHDH-UKWJTHFESA-N
MDL Number	MFCD01861512
Molecular Formula	C30H26O12
Molecular Weight	578.5202
SMILES	O[C@H]1[C@@H](C2=CC=C(O)C(O)=C2)OC3=C(C(O)=CC(O)=C3)[C@@H]1C4=C(O)C=C(O)C5=C4O[C@H](C6=CC=C(O)C(O)=C6)[C@@H](O)C5
UNII	0566J48E7X
Synonyms	procyanidin B1, Procyanidin B1, 20315-25-7, Proanthocyanidin B1, Endotelon, Procyanidin dimer B1, UNII-0566J48E7X, CHEBI:75633, EC-(4b,8)-C, MFCD01861512, 0566J48E7X, Procyanidin B, Procyanidol oligomer, Epicatechin-(4beta->8)-ent-epicatechin, C30H26O12, Procyanidin-B1, Epicatechin(4b->8)catechin, SCHEMBL676745, Epicatechin(4beta->8)catechin, CHEMBL504937, XFZJEEAOWLFHDH-UKWJTHFESA-N, HY-N0795, Procyanidin B1, analytical standard, LMPK12030001, ZINC26490620, AKOS030530133, CS-5955, (4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, 2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, FT-0686682, V0244, A12097, 4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane), Q-100247, cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane), (2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol, (2R,2'R,3R,3'S,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol, (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol, [4,8'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3R,3'S,4R)-, cis,trans inverted exclamation marka inverted exclamation marka-4,8 inverted exclamation marka inverted exclamation marka-Bi-(3,3 inverted exclamation marka,4 inverted exclamation marka,5,7-Pentahydroxyflavane), Procyanidin D, Procyanidol D, Procyanidin B2, ACN-047051, C30-H26-O12, CID11250133, 82262-99-5,

Complexity	925
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	578.142g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	10
Isotope Atom Count	0
Molecular Weight	578.526g/mol
Monoisotopic Mass	578.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	221A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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