6-o-Trans-p-coumaroylshanzhiside methyl ester

cas: 1246012-26-9 — see every product listed under this CAS number, including other names

6-o-Trans-p-coumaroylshanzhiside methyl ester (CAS 1246012-26-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 1mg, 10mg, 25mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberWZB01226-5mg
cas1246012-26-9
size5mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate (CAS 1246012-26-9) is a chemical compound with the molecular formula C26H32O13 and a molecular weight of 552.5 g/mol. IUPAC name: methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate. InChIKey: ZGUUHRZMAAUFHL-OKHNFGPGSA-N.

Identity
Molecular formulaC26H32O13
Molecular weight552.5 g/mol
IUPAC namemethyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
InChIKeyZGUUHRZMAAUFHL-OKHNFGPGSA-N
SMILESC[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O

Computed by PubChem (NCBI)