(2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-4-keto-6a,10b-dimethyl-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromene-7-carboperoxoic acid methyl ester
[CAS# 110382-43-9]

Identification

• Name: (2S,4aS,6aR,7R,10aR,10bR)-2-(3-furyl)-4-keto-6a,10b-dimethyl-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromene-7-carboperoxoic acid methyl ester
• Synonyms: Methyl (2S,4As,6Ar,7R,10Ar,10Br)-2-(3-Furyl)-6A,10B-Dimethyl-4-Oxo-1,2,4A,5,6,7,10,10A-Octahydrobenzo[F]Isochromene-7-Carboperoxoate; (2S,4As,6Ar,7R,10Ar,10Br)-2-(3-Furyl)-6A,10B-Dimethyl-4-Oxo-1,2,4A,5,6,7,10,10A-Octahydrobenzo[F]Isochromene-7-Carboperoxoic Acid Methyl Ester; (2S,4As,6Ar,7R,10Ar,10Br)-2-(3-Furyl)-4-Keto-6A,10B-Dimethyl-1,2,4A,5,6,7,10,10A-Octahydrobenzo[F]Isochromene-7-Carboperoxoic Acid Methyl Ester
• Molecular Formula: C₂₁H₂₆O₆
• Molecular Weight: 374.43
• CAS Registry Number: 110382-43-9
• SMILES: [C@@H]12C(O[C@@H](C[C@@]1([C@@H]3[C@@](CC2)([C@@H](C=CC3)C(=O)OOC)C)C)C4=COC=C4)=O
• InChI: 1S/C21H26O6/c1-20-9-7-15-18(22)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)19(23)27-24-3/h4-5,8,10,12,14-17H,6-7,9,11H2,1-3H3/t14-,15+,16-,17-,20-,21-/m0/s1
• InChIKey: WWNSNGUKDURAJG-FMZZOXHWSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 494.822°C at 760 mmHg (Cal.)
• Flash point: 253.059°C (Cal.)