Bruceanol H
[CAS# 168569-27-5]

Identification

• Name: Bruceanol H
• Synonyms: Bruceanol Ii; Methyl 15-((3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-2,11,12-Trihydroxy-1,16-Dioxopicrasan-21-Oate (11Beta,12Alpha,15Beta(E))-; Picrasan-21-Oic Acid, 15-((3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-2,11,12-Trihydroxy-1,16-Dioxo-, Methyl Ester (11Beta,12Alpha,15Beta(E))-
• Molecular Formula: C₂₈H₃₈O₁₁
• Molecular Weight: 550.60
• CAS Registry Number: 168569-27-5
• SMILES: [C@]123[C@H]4[C@@]5([C@@H](C[C@H]1OC(=O)C(OC(=O)\C=C(C(C)C)/C)[C@H]2C(OC3)(C(O)[C@@H]4O)C(OC)=O)[C@@H](CC(O)C5=O)C)C
• InChI: 1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-16,18-21,23,29,31,33H,7,9-10H2,1-6H3/b12-8+/t13-,14+,15?,16-,18-,19?,20-,21-,23?,26+,27-,28?/m1/s1
• InChIKey: OFEQMSZQMBVXLR-ZOJXLSIESA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 714.722°C at 760 mmHg (Cal.)
• Flash point: 232.6°C (Cal.)