Bipinnatin A
[CAS# 99552-28-0]

Identification

• Name: Bipinnatin A
• Synonyms: Bipinnatin-A; 11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)Nonadeca-6,8-Diene-4-Acetic Acid, 2,5-Bis(Acetyloxy)-7,12-Dimethyl-Alpha-Methylene-17-Oxo-, Methyl Ester, (1S-(1R*,2R*,4S*,5S*,10R*,12R*,14S*,15S*))-
• Molecular Formula: C₂₅H₂₈O₁₁
• Molecular Weight: 504.49
• CAS Registry Number: 99552-28-0
• SMILES: O1C4=CC(=C1[C@H](OC(=O)C)[C@H](C[C@H](OC(=O)C)C23OC2[C@H](OC3=O)CC5(OC45)C)C(C(OC)=O)=C)C
• InChI: 1S/C25H28O11/c1-10-7-15-20-24(5,35-20)9-16-21-25(36-21,23(29)34-16)17(31-12(3)26)8-14(11(2)22(28)30-6)19(18(10)33-15)32-13(4)27/h7,14,16-17,19-21H,2,8-9H2,1,3-6H3/t14-,16-,17+,19-,20?,21?,24?,25?/m1/s1
• InChIKey: SETTUTVEWZFWRZ-RTNZLAPYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 630.837°C at 760 mmHg (Cal.)
• Flash point: 335.318°C (Cal.)