Bruceolline B
[CAS# 159194-91-9]

Identification

• Name: Bruceolline B
• Synonyms: 5-O-Glucopyranosyl-1-6-Glucopyranosylcanthin-6-One; 6H-Indolo(3,2,1-De)(1,5)Naphthyridin-6-One, 5-((6-O-Beta-D-Glucopyranosyl-Beta-D-Glucopyranosyl)Oxy)-
• Molecular Formula: C₂₆H₂₈N₂O₁₂
• Molecular Weight: 560.51
• CAS Registry Number: 159194-91-9
• SMILES: [C@H]5(OC2=CC1=NC=CC3=C1[N](C2=O)C4=C3C=CC=C4)[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/c29-8-15-18(30)20(32)22(34)25(39-15)37-9-16-19(31)21(33)23(35)26(40-16)38-14-7-12-17-11(5-6-27-12)10-3-1-2-4-13(10)28(17)24(14)36/h1-7,15-16,18-23,25-26,29-35H,8-9H2/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-/m1/s1
• InChIKey: VNELTEBGMWTQED-NXEOTYAVSA-N

Properties

• Density: 1.875g/cm³ (Cal.)
• Boiling point: 851.22°C at 760 mmHg (Cal.)
• Flash point: 468.601°C (Cal.)