SMB00554

Cyanidin 3-O-[β-D-Xylopyranosyl-(1,2)-[(4-hydroxy-3-methoxycinnamoyl)-(6)-β-D-glucopyranosyl-(1,6)]-β-D-galactopyranoside]

≥85% (LC/MS-UV)

• Synonym(s): 8H-1,3-Dioxolo[4,5-g]-[1]-benzopyran-8-one-7,9-dimethoxy-6-(4-methoxyphenyl), Cyanidin 3-xylosyl(feruloylglucosyl)galactoside
• Empirical Formula (Hill Notation): C₄₂H₄₇O₂₃
• CAS Number: 142561-99-7
• Molecular Weight: 919.81
• UNSPSC Code: 12352205
• PubChem Substance ID: 329824701
• NACRES: NA.25

Properties

• assay: ≥85% (LC/MS-UV)
• form: solid
• solubility: DMSO: 1 mg/mL
• application(s): metabolomics; vitamins, nutraceuticals, and natural products
• storage temp.: −20°C
• SMILES string: OC1=C(OC)C=C(/C=C/C(OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC4=CC(C(O)=CC(O)=C5)=C5[O+]=C4C6=CC(O)=C(O)C=C6)[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H]3O)O2)=O)C=C1
• InChI: 1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1
• InChI key: MUQNMJSHMPEZCV-JHCRVGSQSA-O

Description

General description

Natural product derived from plant source.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable