Baicalin
[CAS# 100647-26-5]

Identification

• Name: Baicalin
• Synonyms: (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-Oxo-2-Phenyl-Chromen-7-Yl)Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(5,6-Dihydroxy-4-Oxo-2-Phenyl-7-Chromenyl)Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-Keto-2-Phenyl-Chromen-7-Yl)Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₈O₁₁
• Molecular Weight: 446.37
• CAS Registry Number: 100647-26-5 (27462-75-5)
• SMILES: [C@@H]4(OC1=CC2=C(C(=C1O)O)C(C=C(O2)C3=CC=CC=C3)=O)O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)C(O)=O
• InChI: 1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
• InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

Properties

• Density: 1.738g/cm³ (Cal.)
• Boiling point: 836.624°C at 760 mmHg (Cal.)
• Flash point: 297.191°C (Cal.)