| 2D Structure | |
| CID | 11250133 |
| Target | |
| 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 |
| Canonical SMILES | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Isomeric 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 |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.5 |
| synonyms | ['Procyanidin B1', '20315-25-7', 'Proanthocyanidin B1', 'Procyanidin dimer B1', 'CHEBI:75633', 'UNII-0566J48E7X', 'EC-(4b,8)-C', 'PROCYANIDOL B1', '0566J48E7X', '(+)-PROCYANIDIN B1', 'Epicatechin(4beta->8)catechin', "[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)-", 'PROCYANIDIN B1, (+)-', "(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", "(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", "(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)-", '(-)-EPICATECHIN-(4beta-8)-(+)-CATECHIN', 'PROCYANIDIN B1 (CONSTITUENT OF MARITIME PINE)', 'PROCYANIDIN B1 (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)', "(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-(2alpha,3alpha,4beta(2'R*,3'S*)))-", 'Endotelon', 'C30H26O12', 'MFCD01861512', 'Epicatechin-(4beta->8)-ent-epicatechin', '(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', "(2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichromane]-3,3',5,5',7,7'-hexaol", 'Procyanidin D', 'Procyanidol D', "cis,trans''-4,8''-Bi-(3,3',4',5,7-Pentahydroxyflavane)", 'Procyanidin-B1', 'procyanidin-B-2', 'Procyanidin B1 (Standard)', 'Epicatechin(4b->8)catechin', 'SCHEMBL676745', 'CHEMBL504937', 'HY-N0795R', 'DTXSID401030238', '71328-22-8', 'HY-N0795', 'Procyanidin B1, analytical standard', 'BDBM50553252', 'LMPK12030001', 'MSK000324', 'AKOS030530133', 'CS-5955', 'FP45625', 'AC-34943', 'AS-78072', 'DA-57055', "4,8-Bi-(3,3',4',5,7-Pentahydroxyflavane)", 'Q7247551', '(-)-EPICATECHIN-(4.BETA.-8)-(+)-CATECHIN', 'BRD-K72093555-001-01-0', 'BRD-K72093555-001-02-8', 'PROCYANIDIN B1 (CONSTITUENT OF MARITIME PINE) [DSC]', "(2R,2'R,3R,3'S,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol", '(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.ALPHA.,3.ALPHA.,4.BETA.(2'R*,3'S*)))-"] |
From Pubchem