CAS 7659-95-2PubChem CID 6540685
Betanin
- 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-2,6-dicarboxylic acid
- Molecular formula
- C24H26N2O13
- Molecular weight
- 550.5 g/mol
- Exact mass
- 550.14348889 Da
- XLogP3
- -1.3
- Topological polar surface area
- 247.0 Ų
- Hydrogen-bond donors
- 8
- Hydrogen-bond acceptors
- 15
- Covalent units
- 1
- Defined stereocentres
- 7
Also known as
BetaninePhytolaccanin5YJC992ZP6Betanidin 5-beta-D-glucopyranosideNSC-170989(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 acid2,6-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*))-RefChem:119545
16 more reported names
231-628-5(2S)-4-[2-[(2S)-2-Carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acidC24H26N2O13BETANIN [MI]INS-162BETANINE-162BETANIN(15S)-BETANININS NO.162BETANINUNII-5YJC992ZP6CTMLKIKAUFEMLE-FTNGGYTGSA-NEINECS 231-628-5NSC 170989HY-112578BETANIDIN 5-.BETA.-D-GLUCOPYRANOSIDECS-00468672,6-pyridinedicarboxylicacid,4-(2-(2-carboxy-5-(beta-d-glucopyranosyloxy)-2,3
External database identifiers
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.