Products 137031-53-9

CAS 137031-53-9 is the registry number for Soladulcoside A. Offered by: MedChemExpress. Available pack sizes: 1 mg, 5 mg.

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

(1R,2S,3R,3'R,4R,5'S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one (CAS 137031-53-9) is a chemical compound with the molecular formula C39H62O15 and a molecular weight of 770.9 g/mol. IUPAC name: (1R,2S,3R,3'R,4R,5'S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one. InChIKey: BVALVRBXQYLPOW-PDVVVGIASA-N.

Identity
Molecular formulaC39H62O15
Molecular weight770.9 g/mol
IUPAC name(1R,2S,3R,3'R,4R,5'S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one
InChIKeyBVALVRBXQYLPOW-PDVVVGIASA-N
SMILESC[C@@H]1C[C@@H](C2([C@H]([C@H]3[C@@H](O2)[C@@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)C)OC1=O)O

Computed by PubChem (NCBI)

Synonyms: Soladulcoside A