11-O-Glucopyranosyl-1-6-Glucopyranosylcanthin-6-One
[CAS# 159194-90-8]

Identification

• Name: 11-O-Glucopyranosyl-1-6-Glucopyranosylcanthin-6-One
• Synonyms: 6H-Indolo(3,2,1-De)(1,5)Naphthyridin-6-One, 11-((6-O-Beta-D-Glucopyranosyl-Beta-D-Glucopyranosyl)Oxy)-; Bruceolline A
• Molecular Formula: C₂₆H₂₈N₂O₁₂
• Molecular Weight: 560.51
• CAS Registry Number: 159194-90-8
• SMILES: [C@H]5(OC1=CC=CC2=C1C4=C3[N]2C(C=CC3=NC=C4)=O)[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@@H](O)[C@@H]([C@H](O6)CO)O)O)O)O
• InChI: 1S/C26H28N2O12/c29-8-14-19(31)21(33)23(35)25(39-14)37-9-15-20(32)22(34)24(36)26(40-15)38-13-3-1-2-12-17(13)10-6-7-27-11-4-5-16(30)28(12)18(10)11/h1-7,14-15,19-26,29,31-36H,8-9H2/t14-,15-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
• InChIKey: VPNZWBQNGLKMGR-IWDCVFEHSA-N

Properties

• Density: 1.875g/cm³ (Cal.)
• Boiling point: 840.006°C at 760 mmHg (Cal.)
• Flash point: 461.819°C (Cal.)