Bruceanic Acid A
[CAS# 53663-07-3]

Identification

• Name: Bruceanic Acid A
• Synonyms: Bruceantin Decomp. (B611103f122); Nsc238183
• Molecular Formula: C₂₇H₃₆O₁₂
• Molecular Weight: 552.57
• CAS Registry Number: 53663-07-3
• SMILES: C(C4(C2C13C(C(OC1)(C(O)C2O)C(OC)=O)C(OC(=O)\C=C(C(C)C)/C)C(OC3CC4C(=O)C)=O)C)C(O)=O
• InChI: 1S/C27H36O12/c1-11(2)12(3)7-17(31)39-19-21-26-10-37-27(21,24(35)36-6)22(33)18(32)20(26)25(5,9-16(29)30)14(13(4)28)8-15(26)38-23(19)34/h7,11,14-15,18-22,32-33H,8-10H2,1-6H3,(H,29,30)/b12-7+
• InChIKey: LJQBOQTZZVQGBW-KPKJPENVSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 735.351°C at 760 mmHg (Cal.)
• Flash point: 240.491°C (Cal.)