Betanine
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Product Description
Product
Betanine
CAS
7659-95-2
Formula
C24H26N2O13
Synonym
Betanine; EINECS 231-628-5; NSC 170989; Phytolaccanin; UNII-5YJC992ZP6; (2S)-4-[2-[(2S)-2-Carboxy-5-(ß-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid; (S-(R*,R*-(E,E)))-2-Carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridi nylidene)ethylidene)-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydrox y-1H-indolium hydroxide, inner salt; (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; (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*))--dihydro-6-hydroxy-1h-indol-1-yl)ethenyl)-3-dihydro-; [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; 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*))-; 2,6-Pyridinedicarboxylic acid, 4-2-(2S)-2-carboxy-5-(.beta.-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-ylethenyl-2,3-dihydro-, (2S)-; 2,6-pyridinedicarboxylicacid,4-(2-(2-carboxy-5-(beta-d-glucopyranosyloxy)-2,3; Betanidin 5-beta-D-glucopyranoside; Betanin; Betanin (Red Beet extract diluted with Dextrin)
Typical Product Specifications
Molecular weight
550.47
EINECS
231-628-5
SMILES
OC[C@H]1O[C@@H](Oc2cc3C[C@H](N(\C=C\C4=CC(=N[C@@H](C4)C(=O)O)C(=O)O)c3cc2O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
CTMLKIKAUFEMLE-FTNGGYTGSA-N
InChIKey
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
Class
Betanine
Product Description
Product
Betanine
CAS
7659-95-2
Formula
C24H26N2O13
Synonym
Betanine; EINECS 231-628-5; NSC 170989; Phytolaccanin; UNII-5YJC992ZP6; (2S)-4-[2-[(2S)-2-Carboxy-5-(ß-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid; (S-(R*,R*-(E,E)))-2-Carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridi nylidene)ethylidene)-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydrox y-1H-indolium hydroxide, inner salt; (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; (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*))--dihydro-6-hydroxy-1h-indol-1-yl)ethenyl)-3-dihydro-; [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; 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*))-; 2,6-Pyridinedicarboxylic acid, 4-2-(2S)-2-carboxy-5-(.beta.-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-ylethenyl-2,3-dihydro-, (2S)-; 2,6-pyridinedicarboxylicacid,4-(2-(2-carboxy-5-(beta-d-glucopyranosyloxy)-2,3; Betanidin 5-beta-D-glucopyranoside; Betanin; Betanin (Red Beet extract diluted with Dextrin)
Typical Product Specifications
Molecular weight
550.47
EINECS
231-628-5
SMILES
OC[C@H]1O[C@@H](Oc2cc3C[C@H](N(\C=C\C4=CC(=N[C@@H](C4)C(=O)O)C(=O)O)c3cc2O)C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
CTMLKIKAUFEMLE-FTNGGYTGSA-N
InChIKey
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
Class
