(1beta,4beta,11beta,12alpha,15beta)-15-(Acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-Picrasane-2,16-dione
[CAS# 77648-51-2]

Identification

• Name: (1beta,4beta,11beta,12alpha,15beta)-15-(Acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-Picrasane-2,16-dione
• Synonyms: Picrasane-2,16-Dione, 15-(Acetyloxy)-11,20-Epoxy-1,11,12-Trihydroxy-, (1Beta,4Beta,11Beta,12Alpha,15Beta)-
• Molecular Formula: C₂₂H₃₀O₉
• Molecular Weight: 438.47
• CAS Registry Number: 77648-51-2
• SMILES: [C@@H]1(CC([C@H]([C@]3(C1C[C@H]2OC([C@@H]([C@H]4[C@@]25[C@@H]3[C@@]([C@@H]([C@@H]4C)O)(O)OC5)OC(C)=O)=O)C)O)=O)C
• InChI: 1S/C22H30O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h8-9,11,13-17,19,25-26,28H,5-7H2,1-4H3/t8-,9+,11?,13+,14-,15+,16+,17+,19+,20+,21-,22-/m0/s1
• InChIKey: KIZWNNDWEPUGBU-OBWYKSPLSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 645.02°C at 760 mmHg (Cal.)
• Flash point: 223.554°C (Cal.)