Products 141896-54-0

CAS 141896-54-0 appears in our catalog under these names: Cnidioside B, ≥95%, ≥95%, Cnidioside B. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, 1 mg, 5 mg.

Cnidioside B, ≥95%, ≥95%
Chemat
  • size: 5mg
  • Variants: 1
from 5603.60
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Cnidioside B
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 2423.42
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Structural formula: {0} (CAS {1})

3-[7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid (CAS 141896-54-0) is a chemical compound with the molecular formula C18H22O10 and a molecular weight of 398.4 g/mol. IUPAC name: 3-[7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid. InChIKey: YVYNMIFMUKDFEC-AXOAAPQKSA-N.

Identity
Molecular formulaC18H22O10
Molecular weight398.4 g/mol
IUPAC name3-[7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid
InChIKeyYVYNMIFMUKDFEC-AXOAAPQKSA-N
SMILESCOC1=C2C(=CC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCC(=O)O)C=CO2

Computed by PubChem (NCBI)

Synonyms: Cnidioside B, cnideoside B, cnidioside-B, MEGxp0_001375, orb2279345
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-(2-butoxycarbonylbenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C18H22O10
5,7-dihydroxy-2-[(2R)-2-hydroxypropyl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C18H22O10