(3aS,5S,6R,9E,14R,15R,15aR)-2,3,3a,4,5,6,7,8,11,12,13,14,15,15alpha-Tetradecahydro-6,10,14-Trimethyl-3-Methylene-2-Oxo-5,15-Epoxycyclotetradeca[b]Furan-6-Ol Acetate
[CAS# 55822-20-3]

Identification

• Name: (3aS,5S,6R,9E,14R,15R,15aR)-2,3,3a,4,5,6,7,8,11,12,13,14,15,15alpha-Tetradecahydro-6,10,14-Trimethyl-3-Methylene-2-Oxo-5,15-Epoxycyclotetradeca[b]Furan-6-Ol Acetate
• Synonyms: Cueunicin Acetate; Nsc310821; 5,15-Epoxycyclotetradeca[B]Furan-2(3H)-One, 6-(Acetyloxy)-3A,4,5,6,7,8,11,12,13,14,15,15A-Dodecahydro-6,10,14-Trimethyl-3-Methylene-, [3As-(3Ar*,5R*,6S*,9Z,14S*,15S*,15As*)]-
• Molecular Formula: C₂₂H₃₂O₅
• Molecular Weight: 376.49
• CAS Registry Number: 55822-20-3
• SMILES: CC2C3C1C(C(=C)C(=O)O1)CC(C(OC(C)=O)(C)CC\C=C(CCC2)\C)O3
• InChI: 1S/C22H32O5/c1-13-8-6-10-14(2)19-20-17(15(3)21(24)26-20)12-18(25-19)22(5,11-7-9-13)27-16(4)23/h9,14,17-20H,3,6-8,10-12H2,1-2,4-5H3/b13-9-
• InChIKey: SIDORMWRZIUUDO-LCYFTJDESA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 504.425°C at 760 mmHg (Cal.)
• Flash point: 217.897°C (Cal.)