Aurantinin B
[CAS# 97707-52-3]

Identification

• Name: Aurantinin B
• Synonyms: Aurantinin B
• Molecular Formula: C₄₄H₆₀O₁₂
• Molecular Weight: 780.95
• CAS Registry Number: 97707-52-3
• SMILES: C(C(C)C\C(C)=C\C=C\C=C\C/4C(=CC1C(CCC(C)C1OC2OC(C)C(O)C(=O)C2O)C5C(=O)OC(=O)C(=C\3CC(O)C(C)C3=C45)/C)C)C(O)C(C)C(O)=O
• InChI: 1S/C44H60O12/c1-20(16-21(2)17-32(45)26(7)41(50)51)12-10-9-11-13-28-23(4)18-31-29(15-14-22(3)40(31)55-44-39(49)38(48)37(47)27(8)54-44)36-35(28)34-25(6)33(46)19-30(34)24(5)42(52)56-43(36)53/h9-13,18,21-22,25-29,31-33,36-37,39-40,44-47,49H,14-17,19H2,1-8H3,(
• InChIKey: MPPYMLNQFAPEHU-YVJDAUHESA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 964.622°C at 760 mmHg (Cal.)
• Flash point: 285.173°C (Cal.)