Butrin
[CAS# 492-13-7]

Identification

• Name: Butrin
• Synonyms: (2S)-2-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chroman-4-One; (2S)-2-[4-Hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromanone; (2S)-2-[4-Hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chroman-4-One
• Molecular Formula: C₂₇H₃₂O₁₅
• Molecular Weight: 596.54
• CAS Registry Number: 492-13-7
• SMILES: [C@@H]2(OC1=CC(=CC=C1C(=O)C2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4=CC=C(O)C(=C4)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
• InChIKey: QVCQYYYTMIZOGK-VQBAZXIRSA-N

Properties

• Density: 1.654g/cm³ (Cal.)
• Boiling point: 947.691°C at 760 mmHg (Cal.)
• Flash point: 313.995°C (Cal.)