Dehydrobruceantarin
[CAS# 53663-00-6]

Identification

• Name: Dehydrobruceantarin
• Synonyms: Nsc238179
• Molecular Formula: C₂₈H₂₈O₁₁
• Molecular Weight: 540.52
• CAS Registry Number: 53663-00-6
• SMILES: C6=C(C(OC3C4C25C(C1(C(=C(C(=O)C(=C1)O)C)CC2OC3=O)C)C(O)C(O)C4(OC5)C(OC)=O)=O)C=CC=C6
• InChI: 1S/C28H28O11/c1-12-14-9-16-27-11-37-28(25(35)36-3,22(32)18(31)20(27)26(14,2)10-15(29)17(12)30)21(27)19(24(34)38-16)39-23(33)13-7-5-4-6-8-13/h4-8,10,16,18-22,29,31-32H,9,11H2,1-3H3
• InChIKey: XFGZLTBOPDPUJU-UHFFFAOYSA-N

Properties

• Density: 1.549g/cm³ (Cal.)
• Boiling point: 782.763°C at 760 mmHg (Cal.)
• Flash point: 262.596°C (Cal.)