(3R,12aR)-3,6a,9b-Trimethyl-3b,12a-Epoxy-3,4,5,5aa,6,7,8,8aa,9,10-Decahydro-10a-Ethoxypyrano[4,3-j]-1,2-Benzodioxepin
[CAS# 82534-75-6]

Identification

• Name: (3R,12aR)-3,6a,9b-Trimethyl-3b,12a-Epoxy-3,4,5,5aa,6,7,8,8aa,9,10-Decahydro-10a-Ethoxypyrano[4,3-j]-1,2-Benzodioxepin
• Molecular Formula: C₁₇H₂₈O₅
• Molecular Weight: 312.41
• CAS Registry Number: 82534-75-6
• SMILES: [C@@]124[C@@H]3O[C@@H](OCC)[C@@H]([C@@H]1CC[C@H]([C@@H]2CC[C@@](O3)(C)OO4)C)C
• InChI: 1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1
• InChIKey: NLYNIRQVMRLPIQ-LTLPSTFDSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 372.421°C at 760 mmHg (Cal.)
• Flash point: 145.965°C (Cal.)