Grape seed extract

• Catalog Number: ACM84929271
• Product Name: Grape seed extract
• CAS: 84929-27-1
• Category: Heterocyclic Organic Compound
• Synonyms: Vitis vinifera leaf extract
• IUPAC Name: (2R,3S,4S)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
• Molecular Weight: 590.6
• Molecular Formula: C₃₀H₁₂O₆
• Canonical SMILES: CC1=CC(=C(C2=C1CC(C(O2)C3=CC(=C(C=C3)O)O)(C)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
• InChI: InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3/t27-,28-,29+,31+,32+/m0/s1
• InChI Key: VWKAFYWVDIOMSL-PMFFMQSYSA-N
• Exact Mass: 590.17881177
• Isomeric SMILES: CC1=CC(=C(C2=C1C[C@@]([C@H](O2)C3=CC(=C(C=C3)O)O)(C)O)[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
• Monoisotopic Mass: 590.17881177
• Physical State: Powder
• Topological Polar Surface Area: 201 Ų