(1beta,11beta,12alpha)-1,11,12-Trihydroxypicras-3-Ene-2,16-Dione
[CAS# 4668-74-0]

Identification

• Name: (1beta,11beta,12alpha)-1,11,12-Trihydroxypicras-3-Ene-2,16-Dione
• Synonyms: klaineanone
• Molecular Formula: C₂₀H₂₈O₆
• Molecular Weight: 364.43
• CAS Registry Number: 4668-74-0
• SMILES: C/C1=C/C(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@H](C[C@@H]12)[C@]34C
• InChI: 1S/C20H28O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h5,9-11,13,15-18,23-25H,6-7H2,1-4H3/t9-,10+,11+,13-,15-,16+,17+,18-,19-,20+/m1/s1
• InChIKey: WJMXTGAXNJDIRW-IKRQWABHSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 570.952°C at 760 mmHg (Cal.)
• Flash point: 202.091°C (Cal.)