(2R,7a'S,9a'R)-6',6'-Dimethyl-3',7'-dioxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
[CAS# 67055-57-6]

Identification

• Name: (2R,7a'S,9a'R)-6',6'-Dimethyl-3',7'-dioxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
• Synonyms: Pentalenolactone G; Spiro(oxirane-2,1'(2'H)-pentaleno(1,6a-c)pyran)-5'-carboxylic acid, 4',4'a,6'a,7',8',9'-hexahydro-8',8'-dimethyl-2',7'-dioxo-, (1'R-(1'α,4'aalpha,6'abeta,9'aS*))-
• Molecular Formula: C₁₅H₁₆O₆
• Molecular Weight: 292.28
• CAS Registry Number: 67055-57-6
• SMILES: O=C3OC[C@H]4C(=C/[C@@H]1C(=O)C(CC14[C@]32OC2)(C)C)\C(=O)O
• InChI: 1S/C15H16O6/c1-13(2)5-14-8(10(13)16)3-7(11(17)18)9(14)4-20-12(19)15(14)6-21-15/h3,8-9H,4-6H2,1-2H3,(H,17,18)/t8-,9-,14?,15+/m0/s1
• InChIKey: WQRJQQRKICTEAK-DBHPFHKZSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 550.761°C at 760 mmHg (Cal.)
• Flash point: 211.91°C (Cal.)