Products 957678-53-4

CAS 957678-53-4 is the registry number for Sagittasine A. Offered by: MedChemExpress. Available pack sizes: 5 mg, 1 mg.

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

3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (CAS 957678-53-4) is a chemical compound with the molecular formula C39H50O20 and a molecular weight of 838.8 g/mol. IUPAC name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. InChIKey: MIMVORVNCSRFSW-UARVVTTKSA-N.

Identity
Molecular formulaC39H50O20
Molecular weight838.8 g/mol
IUPAC name3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChIKeyMIMVORVNCSRFSW-UARVVTTKSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC(=C4CC(C(=C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O

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