Products 104901-05-5

CAS 104901-05-5 is the registry number for Borapetoside B. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 1 mg, 5 mg.

Borapetoside B
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 1 mg
  • Variants: 5
from 5878.56
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Structural formula: {0} (CAS {1})

Methyl (2S,4aS,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate (CAS 104901-05-5) is a chemical compound with the molecular formula C27H36O12 and a molecular weight of 552.6 g/mol. IUPAC name: methyl (2S,4aS,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate. InChIKey: XUOAZZCHOKUHCF-FVAQCFFJSA-N.

Identity
Molecular formulaC27H36O12
Molecular weight552.6 g/mol
IUPAC namemethyl (2S,4aS,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
InChIKeyXUOAZZCHOKUHCF-FVAQCFFJSA-N
SMILESC[C@@]12C[C@H](OC(=O)[C@H]1C[C@H]([C@@]3([C@H]2C[C@H](C=C3C(=O)OC)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5

Computed by PubChem (NCBI)

Synonyms: borapetoside B, orb1683052
Isomers (same molecular formula)
(2R,3R,4S,5R)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol C27H36O12
(2R,3R,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol C27H36O12
methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,9,10,10a-hexahydro-1H-benzo[f]isochromene-7-carboxylate C27H36O12
methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6-hydroxy-6a,10b-dimethyl-4-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate C27H36O12