Products 59795-21-0

CAS 59795-21-0 is the registry number for 26-desglucoavenacoside A. Offered by: Sigma-Aldrich. Available pack sizes: 1MG.

26-desglucoavenacoside A
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 2118.00
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Structural formula: {0} (CAS {1})

2-[4-hydroxy-2-(hydroxymethyl)-6-[5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS 59795-21-0) is a chemical compound with the molecular formula C45H72O18 and a molecular weight of 901.0 g/mol. IUPAC name: 2-[4-hydroxy-2-(hydroxymethyl)-6-[5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol. InChIKey: XUUBSPXZCBAWET-UHFFFAOYSA-N.

Identity
Molecular formulaC45H72O18
Molecular weight901.0 g/mol
IUPAC name2-[4-hydroxy-2-(hydroxymethyl)-6-[5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChIKeyXUUBSPXZCBAWET-UHFFFAOYSA-N
SMILESCC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)CO

Computed by PubChem (NCBI)

Synonyms: Desglucoavenacoside A
Isomers (same molecular formula)
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol C45H72O18