((2R,3R,4S,5R,6R)-5-Acetoxy-6-(3,4-dihydroxyphenethoxy)-3-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate

cas: 112516-04-8 — see every product listed under this CAS number, including other names

((2R,3R,4S,5R,6R)-5-Acetoxy-6-(3,4-dihydroxyphenethoxy)-3-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate (CAS 112516-04-8) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg. Offered by: Chemat.

• 2D
• 3D

[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 112516-04-8) is a chemical compound with the molecular formula C31H38O16 and a molecular weight of 666.6 g/mol. IUPAC name: [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: HFJIGXAMJFDVFR-OMRKUVHCSA-N.

Identity

Molecular formula	C31H38O16
Molecular weight	666.6 g/mol
IUPAC name	[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKey	HFJIGXAMJFDVFR-OMRKUVHCSA-N
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Tubuloside B, orb1219093, orb1298581

Isomers (same molecular formula)

[(2R,3R,4R,5R,6R)-2-(acetyloxymethyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C₃₁H₃₈O₁₆

[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C₃₁H₃₈O₁₆