Bruceantarin
[CAS# 41451-76-7]

Identification

• Name: Bruceantarin
• Synonyms: Nsc175399
• Molecular Formula: C₂₈H₃₀O₁₁
• Molecular Weight: 542.54
• CAS Registry Number: 41451-76-7
• SMILES: [C@]136[C@@H]4C([C@H]([C@@H]([C@@H]1[C@@]2([C@H](C(=C(C(C2)=O)O)C)C[C@H]3OC([C@@H]4OC(=O)C5=CC=CC=C5)=O)C)O)O)(OC6)C(=O)OC
• InChI: 1S/C28H30O11/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/h4-8,14,16,18-22,30-32H,9-11H2,1-3H3/t14-,16+,18+,19+,20+,21+,22-,26-,27+,28?/m0/s1
• InChIKey: TUKVWIYSWDDKKX-HGALZNGHSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 765.019°C at 760 mmHg (Cal.)
• Flash point: 255.406°C (Cal.)