CAS Number
Molecular Formula
C24H26N2O13
Product format
Neat
Molecular Weight
550.47
Storage
+5°C
Shipping
Room Temperature
API Family
Synonyms
Betanine; Phytolaccanin; 7659-95-2; 5YJC992ZP6; DTXSID80997924; Betanidin 5-beta-D-glucopyranoside; NSC-170989; (2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2, 3-dihydroindol-1-yl]ethenyl]-2, 3-dihydropyridine-2, 6-dicarboxylic acid; (S-(R*, R*))-4-(2-(2-Carboxy-5-(beta-D-glucopyranosyloxy)-2, 3-dihydro-6-hydroxy-1H-indol-1-yl)vinyl)-2, 3-dihydropyridine-2, 6-dicarboxylic acid; (S-(R*, R*-(E, E)))-2-Carboxy-1-((2, 6-dicarboxy-2, 3-dihydro-4(1H)-pyridinylidene)ethylidene)-5-(beta-D-glucopyranosyloxy)-2, 3-dihydro-6-hydroxy-1H-indolium hydroxide, inner salt; 2, 6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-5-(beta-D-glucopyranosyloxy)-2, 3-dihydro-6-hydroxy-1H-indol-1-yl)ethenyl)-2, 3-dihydro-, (S-(R*, R*))-; (2S)-4-((E)-2-((2S)-2-carboxy-6-hydroxy-5-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2, 3-dihydroindol-1-yl)ethenyl)-2, 3-dihydropyridine-2, 6-dicarboxylic acid; RefChem:119545; DTXCID801515545; (2S)-1-((2Z)-2-((2S)-2, 6-dicarboxy-2, 3-dihydro-1H-pyridin-4-ylidene)ethylidene)-6-hydroxy-5-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2, 3-dihydroindol-1-ium-2-carboxylate; (2S)-1-(2-((2S)-2, 6-dicarboxy-2, 3-dihydro-1H-pyridin-4-ylidene)ethylidene)-6-hydroxy-5-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2, 3-dihydroindol-1-ium-2-carboxylate; 231-628-5; (2S)-1-((2E)-2-((2S)-2, 6-dicarboxy-2, 3-dihydro-1H-pyridin-4-ylidene)ethylidene)-6-hydroxy-5-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2, 3-dihydroindol-1-ium-2-carboxylate; Betanin; (2S)-4-[2-[(2S)-2-Carboxy-5-(beta-D-glucopyranosyloxy)-2, 3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2, 3-dihydro-2 and 6-pyridinedicarboxylic acid
Iupac Name
(2S)-4-[(E)-2-[(2S)-2-carboxy-6-hydroxy-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2, 3-dihydroindol-1-yl]ethenyl]-2, 3-dihydropyridine-2 and 6-dicarboxylic acid
InChI
InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37)/b2-1+/t12-,14-,17+,18+,19-,20+,24+/m0/s1
