Bruceantinoside C
[CAS# 112899-35-1]

Identification

• Name: Bruceantinoside C
• Synonyms: Picras-2-En-21-Oic Acid, 15-((4-(Acetyloxy)-3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-2-(Beta-D-Glucopyranosyloxy)-11,12-Dihydroxy-1,16-Dioxo-, Methyl Ester, (11Beta,12Alpha,15Beta(E))-
• Molecular Formula: C₃₆H₄₈O₁₈
• Molecular Weight: 768.76
• CAS Registry Number: 112899-35-1
• SMILES: C(O)C6OC(OC5=CC(C4C(C2C13C(C(OC1)(C(O)C2O)C(OC)=O)C(OC(=O)\C=C(C(OC(=O)C)(C)C)/C)C(OC3C4)=O)(C5=O)C)C)C(O)C(O)C6O
• InChI: 1S/C36H48O18/c1-13-8-17(50-31-23(42)22(41)21(40)18(11-37)51-31)28(44)34(6)16(13)10-19-35-12-49-36(32(47)48-7,29(45)24(43)26(34)35)27(35)25(30(46)52-19)53-20(39)9-14(2)33(4,5)54-15(3)38/h8-9,13,16,18-19,21-27,29,31,37,40-43,45H,10-12H2,1-7H3/b14-9+
• InChIKey: XJIAVYYCXSQJAZ-NTEUORMPSA-N

Properties

• Density: 1.516g/cm³ (Cal.)
• Boiling point: 948.1°C at 760 mmHg (Cal.)
• Flash point: 291.316°C (Cal.)