(1S,9aS)-1-Chloromethyl-1,2,4,4aalpha,6abeta,7-Hexahydro-1alpha-Hydroxy-7alpha,8-Dimethyl-2-Oxopentaleno[1,6alpha-c]Pyran-5-Carboxylic Acid
[CAS# 68026-87-9]

Identification

• Name: (1S,9aS)-1-Chloromethyl-1,2,4,4aalpha,6abeta,7-Hexahydro-1alpha-Hydroxy-7alpha,8-Dimethyl-2-Oxopentaleno[1,6alpha-c]Pyran-5-Carboxylic Acid
• Synonyms: Pentaleno(1,3A-C)Pyran-5-Carboxylic Acid, 1,2,4,4A,6A,7-Hexadyro-1-(Chloromethyl)-7,8-Dimethyl-1-Hydroxy-2-Oxo-; Pentaleno(1,6A-C)Pyran-5-Carboxylic Acid, 1-(Chloromethyl)-1,2,4,4A,6A,7-Hexahydro-1-Hydroxy-7,8-Dimethyl-2-Oxo-, (1S-(1Alpha,4Aalpha,6Abeta,7Alpha,9Ar*))-; Aa 57
• Molecular Formula: C₁₅H₁₇ClO₅
• Molecular Weight: 312.75
• CAS Registry Number: 68026-87-9
• SMILES: [C@@H]13C2([C@H](C(=C1)C(=O)O)COC(=O)[C@]2(O)CCl)C=C([C@@H]3C)C
• InChI: 1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8-,10+,11-,14?,15+/m0/s1
• InChIKey: JIBVJJZCSYJNBC-MERSJFMSSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 544.333°C at 760 mmHg (Cal.)
• Flash point: 283.003°C (Cal.)