(3aa,4b,7b,7aa)-Hexahydro-2,3a,7a-trimethyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione
[CAS# 76970-78-0]

Identification

• Name: (3aa,4b,7b,7aa)-Hexahydro-2,3a,7a-trimethyl-4,7-Epoxy-1H-isoindole-1,3(2H)-dione
• Synonyms: 4,7-Epoxy-1H-Isoindole-1,3(2H)-Dione, Hexahydro-2,3A,7A-Trimethyl-, (3Aalpha,4Beta,7Beta,7Aalpha)-; Cantharidin Methylimide
• Molecular Formula: C₁₁H₁₅NO₃
• Molecular Weight: 209.24
• CAS Registry Number: 76970-78-0
• SMILES: [C@@H]13CC[C@@H]([C@]2([C@@]1(C(N(C2=O)C)=O)C)C)O3
• InChI: 1S/C11H15NO3/c1-10-6-4-5-7(15-6)11(10,2)9(14)12(3)8(10)13/h6-7H,4-5H2,1-3H3/t6-,7+,10+,11-
• InChIKey: WUQNOBSCYAIJIH-FIPCFZRWSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 329.17°C at 760 mmHg (Cal.)
• Flash point: 152.877°C (Cal.)