Procyanidin B1

Catalog	BBC20315257
CAS	20315-25-7
Structure
Synonyms	(2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-4,8'-bichroman-3,3',5,5',7,7'-hexol
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
Molecular Weight	578.52
Molecular Formula	C30H26O12
Canonical SMILES	C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
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
Boiling Point	955.3±65.0 °C
Melting Point	231-232 °C
Purity	98%
Density	1.705±0.06 g/ml
Appearance	Powder
pKa	9.29±0.60