Products 135010-45-6

CAS 135010-45-6 appears in our catalog under these names: 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid, ≥98%, ≥98%, Herbacetin 3-O-glucopyranoside-8-O-glucuronopyranoside. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, 10mg, 20mg, 50mg, 100mg, 10 mg, 5 mg, 1 mg.

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl β-D-glucopyranosiduronic acid, ≥98%, ≥98%
Chemat
  • size: 5mg, 10mg, 20mg, 50mg
  • Variants: 5
from 3021.20
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Herbacetin 3-O-glucopyranoside-8-O-glucuronopyranoside
MedChemExpress
  • size: 10 mg, 5 mg, 1 mg
  • Variants: 3
from 2010.11
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 135010-45-6) is a chemical compound with the molecular formula C27H28O19 and a molecular weight of 656.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: YGWFDAMCHDILHX-JQHPUGQPSA-N.

Identity
Molecular formulaC27H28O19
Molecular weight656.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyYGWFDAMCHDILHX-JQHPUGQPSA-N
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Herbacetin 3-O-glucopyranoside-8-O-glucuronopyranoside, Gossypetin 3-O-beta-glucopyranoside-8-O-beta-glucuronopyranoside, orb2563842