Bruceolide
[CAS# 25514-28-7]

Identification

• Name: Bruceolide
• Synonyms: Nsc238185
• Molecular Formula: C₂₁H₂₆O₁₀
• Molecular Weight: 438.43
• CAS Registry Number: 25514-28-7
• SMILES: COC(=O)C34OCC25C(CC1C(=C(O)C(=O)CC1(C)C2C(O)C3O)C)OC(=O)C(O)C45
• InChI: 1S/C21H26O10/c1-7-8-4-10-20-6-30-21(18(28)29-3,15(20)13(25)17(27)31-10)16(26)12(24)14(20)19(8,2)5-9(22)11(7)23/h8,10,12-16,23-26H,4-6H2,1-3H3
• InChIKey: YLWQKYSDNGHLAO-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 702.828°C at 760 mmHg (Cal.)
• Flash point: 248.021°C (Cal.)