Bruceantinoside B
[CAS# 79439-84-2]

Identification

• Name: Bruceantinoside B
• Synonyms: Picras-3-En-21-Oic Acid, 15-((3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-3-(Beta-D-Glucopyranosyloxy)-11,12-Dihydroxy-2,16-Dioxo-, Methyl Ester, (11Beta,12Alpha,15Beta(E))-; Yadanzioside P; 3-O-(Glucopyranosyl)Bruceantin
• Molecular Formula: C₃₄H₄₆O₁₆
• Molecular Weight: 710.73
• CAS Registry Number: 79439-84-2
• SMILES: C(O)C6OC(OC5=CC(C4C(C2C13C(C(OC1)(C(O)C2O)C(OC)=O)C(OC(=O)\C=C(C(C)C)/C)C(OC3C4)=O)(C5=O)C)C)C(O)C(O)C6O
• InChI: 1S/C34H46O16/c1-12(2)13(3)8-19(36)50-24-26-33-11-46-34(26,31(44)45-6)28(42)23(40)25(33)32(5)15(9-18(33)49-29(24)43)14(4)7-16(27(32)41)47-30-22(39)21(38)20(37)17(10-35)48-30/h7-8,12,14-15,17-18,20-26,28,30,35,37-40,42H,9-11H2,1-6H3/b13-8+
• InChIKey: YSFALLIAQRJCQF-MDWZMJQESA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 898.385°C at 760 mmHg (Cal.)
• Flash point: 280.392°C (Cal.)