Products 62299-26-7

CAS 62299-26-7 is the registry number for 6-Acetylmorphine 3-O-beta-D-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 1mg.

6-Acetylmorphine 3-O-beta-D-glucuronide
TRC, Biosynth
  • size: 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 62299-26-7) is a chemical compound with the molecular formula C25H29NO10 and a molecular weight of 503.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: YVGOKLDIYZEHHQ-DSPHSEFCSA-N.

Identity
Molecular formulaC25H29NO10
Molecular weight503.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyYVGOKLDIYZEHHQ-DSPHSEFCSA-N
SMILESCC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)CCN3C

Computed by PubChem (NCBI)

Synonyms: 6-Acetylmorphine 3-O-b-D-Glucuronide, 6-Acetylmorphine 3-O-beta-D-Glucuronide (1.0 mg/ml in Acetonitrile)
Isomers (same molecular formula)
[(2S,3S,4aS,5R,8S,8aR)-2,3-dimethoxy-2,3-dimethyl-5-phenylmethoxy-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-yl] 4-nitrobenzoate C25H29NO10
(2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C25H29NO10