13,20-Epoxy-1beta,11beta,12alpha,14-Tetrahydroxypicras-3-Ene-2,16-Dione
[CAS# 64356-67-8]

Identification

• Name: 13,20-Epoxy-1beta,11beta,12alpha,14-Tetrahydroxypicras-3-Ene-2,16-Dione
• Synonyms: Nsc269442; Samaderine (B619376k034); Samaderine E
• Molecular Formula: C₂₀H₂₆O₈
• Molecular Weight: 394.42
• CAS Registry Number: 64356-67-8
• SMILES: [C@]123[C@H]4[C@@]5([C@@H](C[C@H]1OC(=O)C[C@@]2(O)C(OC3)([C@@H](O)[C@@H]4O)C)C(=CC(=O)[C@H]5O)C)C
• InChI: 1S/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13+,14+,15+,16-,17-,18?,19+,20+/m0/s1
• InChIKey: MGGPOESVKAWHRB-RKVAWWTCSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 673.009°C at 760 mmHg (Cal.)
• Flash point: 241.533°C (Cal.)