(3R,5S,5'R,8'abeta)-4'aalpha-Acetoxymethyl-5-(3-Furyl)-2',3',4,5,6',7',8',8'alpha-Octahydro-2'alpha-Methyldispiro[Furan-3(2H),1'(5'H)-Naphthalene-5',2''-Oxirane]-2,4'(4'aH)-Dione
[CAS# 64756-04-3]

Identification

• Name: (3R,5S,5'R,8'abeta)-4'aalpha-Acetoxymethyl-5-(3-Furyl)-2',3',4,5,6',7',8',8'alpha-Octahydro-2'alpha-Methyldispiro[Furan-3(2H),1'(5'H)-Naphthalene-5',2''-Oxirane]-2,4'(4'aH)-Dione
• Molecular Formula: C₂₂H₂₆O₇
• Molecular Weight: 402.44
• CAS Registry Number: 64756-04-3
• SMILES: [C@@]34([C@@H]([C@]1(C(O[C@@H](C1)C2=COC=C2)=O)[C@@H](CC3=O)C)CCC[C@@]45OC5)COC(=O)C
• InChI: 1S/C22H26O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-17H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,20+,21-,22+/m1/s1
• InChIKey: IWEPQKLANYKTAS-UKLMFHPYSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 582.015°C at 760 mmHg (Cal.)
• Flash point: 305.792°C (Cal.)