BGC > Produktsuche > Quercetin 3-O-beta-D-glucuronide | 22688-79-5

Molecular Formula: C21H18O13
WGKGermany: 3

Molecular Formula: C21H18O13
Molecular Weight: 478,37

Description:
Miquelianin, also known as Quercetin 3-O-glucuronide, a pharmacologically active flavonol glucuronide isolated from H. perforatum (St. John's wort), is a metabolite of quercetin.

• Molecular Weight:478.36
• Boiling Point:927.8±65.0 °C | Condition: Press: 760 Torr
• Melting Point:190-192 °C
• Purity:96.5%

Molecular Formula:
C21H18O13
Canonical SMILES:
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
InChI:
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
InChIKey:
DUBCCGAQYVUYEU-ZUGPOPFOSA-N
Solubility:
DMSO: ≥ 30 mg/mL
Storage: Store in a cool and dry place (or refer to the Certificate of Analysis).
Synonyms:
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; miquelianin; quercetin 3-O-beta-D-glucopyranoside; quercetin 3-O-beta-glucopyranoside; quercetin 3-O-glucopyranoside