Pelargonidin 3-O-[6''-O-(E)Caffeoyl Sophoroside]-5-glucoside, ≥98%

cas: 361342-09-8 — see every product listed under this CAS number, including other names

Pelargonidin 3-O-[6''-O-(E)Caffeoyl Sophoroside]-5-glucoside, ≥98% (CAS 361342-09-8) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh12V5RO-5mg
cas361342-09-8
size5mg
availability 0.005g
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Available pack sizes

brand size price
Chemat 5mg 4494.80 Pln

properties

purity≥98%
delivery time3 weeks
Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 361342-09-8) is a chemical compound with the molecular formula C42H47O23+ and a molecular weight of 919.8 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: HEHBJCWTLHPLAO-GXKMNUNHSA-O.

Identity
Molecular formulaC42H47O23+
Molecular weight919.8 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyHEHBJCWTLHPLAO-GXKMNUNHSA-O
SMILESC1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/C7=CC(=C(C=C7)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Pelargonidin 3-O-[6''-O-(E)Caffeoyl Sophoroside]-5-glucoside
Isomers (same molecular formula)
[(2R,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate C42H47O23+