Products 1394959-40-0

CAS 1394959-40-0 is the registry number for 2,3,4-Triacetate 3,7-Dihydroxy-15-yl Methyl Ester beta-D-Glucopyranosiduronic Acid. Offered by: TRC. Available pack sizes: 5mg.

Structural formula: {0} (CAS {1})

Methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methoxy]oxane-2-carboxylate (CAS 1394959-40-0) is a chemical compound with the molecular formula C28H36O15 and a molecular weight of 612.6 g/mol. IUPAC name: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methoxy]oxane-2-carboxylate. InChIKey: WVWBVSLDBBDEFA-VWEPDZHNSA-N.

Identity
Molecular formulaC28H36O15
Molecular weight612.6 g/mol
IUPAC namemethyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methoxy]oxane-2-carboxylate
InChIKeyWVWBVSLDBBDEFA-VWEPDZHNSA-N
SMILESCC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)