Products 1333206-58-8
CAS 1333206-58-8 is the registry number for Pelargonidin 3-O-[6-O-(E)-Ferulyl-2-O-{6-O-(E)-Caffeoyl-β-D-glucoside}-β-D-glucoside]-5-O-(6-O-malonyl）-β-D-glucoside, ≥98%, ≥98%. Offered by: Chemat. Available pack sizes: 5mg.
[3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium (CAS 1333206-58-8) is a chemical compound with the molecular formula C55H59O29+ and a molecular weight of 1184.0 g/mol. IUPAC name: [3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium. InChIKey: GLTBLZRYCCNKAZ-YPIMDBBKSA-O.
| Molecular formula | C55H59O29+ |
|---|---|
| Molecular weight | 1184.0 g/mol |
| IUPAC name | [3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium |
| InChIKey | GLTBLZRYCCNKAZ-YPIMDBBKSA-O |
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3)C(=CC(=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)[OH2+])O)O)O)C6=CC=C(C=C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/C8=CC(=C(C=C8)O)O)O)O)O)O)O)O |
Computed by PubChem (NCBI)