(1S,5aR,5bR,6aS,9R,9aS,11S,11bR)-9-(3-Furyl)-1,11-dihydroxy-1,3,3,5a,9a,11b-hexamethyldecahydro[2]benzofuro[5,4-f]oxireno[d]isochromene-5,7(3H,6aH)-dione
[CAS# 71899-58-6]

Identification

• Name: (1S,5aR,5bR,6aS,9R,9aS,11S,11bR)-9-(3-Furyl)-1,11-dihydroxy-1,3,3,5a,9a,11b-hexamethyldecahydro[2]benzofuro[5,4-f]oxireno[d]isochromene-5,7(3H,6aH)-dione
• Synonyms: CLAUSENOLIDE; NSC294578
• Molecular Formula: C₂₅H₃₂O₈
• Molecular Weight: 460.52
• CAS Registry Number: 71899-58-6
• SMILES: O=C6[C@@]2(C([C@@H](O)C[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@]123)c4ccoc4)[C@@]5(C(C(O[C@@]5(O)C)(C)C)C6)C)C
• InChI: 1S/C25H32O8/c1-20(2)14-9-15(27)23(5)16(22(14,4)24(6,29)33-20)13(26)10-21(3)17(12-7-8-30-11-12)31-19(28)18-25(21,23)32-18/h7-8,11,13-14,16-18,26,29H,9-10H2,1-6H3/t13-,14?,16?,17-,18+,21-,22-,23+,24-,25+/m0/s1
• InChIKey: ABUJYLRTXBVIRH-KNFPJBQWSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 619.346°C at 760 mmHg (Cal.)
• Flash point: 328.369°C (Cal.)