Products 117037-78-2

CAS 117037-78-2 is the registry number for Cichorioside B. Offered by: TargetMol. Available pack sizes: 1mg.

Cichorioside B
TargetMol
  • size: 1mg
  • Variants: 1
from 1999.42
View product
Structural formula: {0} (CAS {1})

(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione (CAS 117037-78-2) is a chemical compound with the molecular formula C21H28O10 and a molecular weight of 440.4 g/mol. IUPAC name: (3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione. InChIKey: ZEMSXERQBUSFBA-KMYOWJDCSA-N.

Identity
Molecular formulaC21H28O10
Molecular weight440.4 g/mol
IUPAC name(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChIKeyZEMSXERQBUSFBA-KMYOWJDCSA-N
SMILESC[C@@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: Cichorioside?B, Cichorioside B
Isomers (same molecular formula)
1-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]propane-1,2,3-triol C21H28O10
6-[(2S)-2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one C21H28O10