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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C42H47O23
CAS Number:
Molecular Weight:
919.81
UNSPSC Code:
12352205
PubChem Substance ID:
NACRES:
NA.25
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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

General description

Natural product derived from plant source.


Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable



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