Morphine 6-β-D-glucuronide

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Systematic / IUPAC Name: 3,4,5-Trihydroxy-6-[(9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl)oxy]oxane-2-carboxylic acid

ID: Reference494

Other Names: β-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl;
Morphine-6-glucuronide;
Morphine 6-β-D-glucopyranosiduronide

Formula: C23H27NO9

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Morphine 6-β-D-glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 271
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/28/2015 10:36:16 AM
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Identificators

InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChI Key GNJCUHZOSOYIEC-GAROZEBRSA-N
Canonical SMILES O=C(O)C6OC(OC1/C=C\C5C24c3c(ccc(O)c3OC12)CC5N(C)CC4)C(O)C(O)C6O
CAS 20290102
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Other Names β-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl;
Morphine-6-glucuronide;
Morphine 6-β-D-glucopyranosiduronide

In Other Databases

ChemIDPlus 020290102
Wikipedia Morphine-6-glucuronide
ChemSpider 4514548
PubChem 5360621
ChEMBL CHEMBL1330
HMDb HMDB41937
KEGG C16578