Products 221317-02-8

CAS 221317-02-8 is the registry number for Anemarrhenasaponin Ia. Offered by: TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 25mg, 50mg, 100mg, 10mg, 5 mg.

Anemarrhenasaponin Ia
TargetMol, Biosynth, Chemat
  • size: 1mg, 5mg, 25mg, 50mg
  • Variants: 11
from 525.20
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Structural formula: {0} (CAS {1})

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1R,2S,3R,4R,7S,8R,9S,12S,13S,16S,18R)-3-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 221317-02-8) is a chemical compound with the molecular formula C40H68O14 and a molecular weight of 773.0 g/mol. IUPAC name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1R,2S,3R,4R,7S,8R,9S,12S,13S,16S,18R)-3-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: IHMGCJXHLUVQOY-UNAFYQAQSA-N.

Identity
Molecular formulaC40H68O14
Molecular weight773.0 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1R,2S,3R,4R,7S,8R,9S,12S,13S,16S,18R)-3-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyIHMGCJXHLUVQOY-UNAFYQAQSA-N
SMILESC[C@H]1[C@H]2[C@H]([C@@H]([C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O)OC1(CCC(C)C)OC

Computed by PubChem (NCBI)

Synonyms: Anemarrhenasaponin Ia, orb1296942