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

cas: 1034402-86-2 — see every product listed under this CAS number, including other names

Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-（6-O-malonyl）-β-D-glucoside, ≥98% (CAS 1034402-86-2) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh12V3YU-5mg
cas1034402-86-2
size5mg
availability 0.005g
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Available pack sizes

brand size price
Chemat 5mg 2723.60 Pln

properties

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

[3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium (CAS 1034402-86-2) is a chemical compound with the molecular formula C45H51O26+ and a molecular weight of 1007.9 g/mol. IUPAC name: [3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium. InChIKey: PINNYRSMHPKZLC-XRLIYFNWSA-O.

Identity
Molecular formulaC45H51O26+
Molecular weight1007.9 g/mol
IUPAC name[3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium
InChIKeyPINNYRSMHPKZLC-XRLIYFNWSA-O
SMILESC1C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)[OH2+])O)O)O)O)OC(=C1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=C(C=C7)O

Computed by PubChem (NCBI)

Synonyms: Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-6-O-malonyl-beta-D-glucoside