(1R,4R,5R,6R,6aR,9R,9aS)-4,5,6A,7,8,9-Hexahydro-1,5,6alpha-Trihydroxy-5,9-Dimethylspiro[6H-4,9alpha-Methanocyclopenta[d]Oxocin-6,3'-Oxetane]-2,2'(1H)-Dione
[CAS# 15589-82-9]

Identification

• Name: (1R,4R,5R,6R,6aR,9R,9aS)-4,5,6A,7,8,9-Hexahydro-1,5,6alpha-Trihydroxy-5,9-Dimethylspiro[6H-4,9alpha-Methanocyclopenta[d]Oxocin-6,3'-Oxetane]-2,2'(1H)-Dione
• Synonyms: Spiro(6H-4,9A-Methanocyclopent(D)Oxocin-6,3'-Oxetane)-2,2'(1H)-Dione, Hexahydro-1,5,6A-Trihydroxy-5,9-Dimethyl-, (1S-(1-Alpha,4-Beta,5-Beta,6-Beta,6A-Alpha,9-Alpha,9A-Beta))-; Hexahydro-1,5,6A-Trihydroxy-5,9-Dimethylspiro(6H-4,9A-Methanocyclopent(D)Oxocin-6,3'-Oxetane)-2,2'(1H)-Dione (1R-(1Alpha,4Beta,5Beta,6Beta,6Aalpha,9Alpha,9Abeta))-
• Molecular Formula: C₁₅H₂₀O₇
• Molecular Weight: 312.32
• CAS Registry Number: 15589-82-9
• SMILES: [C@@]24([C@]3(O)[C@@]1(C[C@@H](OC(=O)[C@@H]1O)[C@@]2(O)C)[C@@H](CC3)C)C(OC4)=O
• InChI: 1S/C15H20O7/c1-7-3-4-15(20)13(7)5-8(22-10(17)9(13)16)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8-,9+,12+,13+,14+,15-/m1/s1
• InChIKey: OHFIOPJOZFMKFF-HIIDGFEESA-N

Properties

• Density: 1.539g/cm³ (Cal.)
• Boiling point: 584.744°C at 760 mmHg (Cal.)
• Flash point: 221.814°C (Cal.)