proanthocyanidin A2

Also known as Epicatechin-(2beta->7,4beta->8)-epicatechin

chemical compound

Formula: C30H24O12
Molecular weight: 576.5 g/mol
IUPAC name: (1R,5R,6R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
SMILES: C1[C@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O
InChIKey: NSEWTSAADLNHNH-LSBOWGMISA-N
XLogP: 2.4
Polar surface area: 210 Å²
H-bond donors: 9
H-bond acceptors: 12
Formal charge: 0

via PubChem

via ChEMBL · EBI

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found in taxon: Cinnamomum burmanni
chemical formula: C₃₀H₂₄O₁₂
isomeric SMILES: C1[C@H]([C@H](OC2=C3[C@@H]4[C@H]([C@@](OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O
canonical SMILES: C1C(C(OC2=C3C4C(C(OC5=CC(=CC(=C45)O)O)(OC3=CC(=C21)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O

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