Crotepoxide
[CAS# 20421-13-0]

Identification

• Name: Crotepoxide
• Synonyms: Nci60_000149; 4-((Benzoyloxy)Methyl)3,8-Dioxatricyclo(5.1.0.0)-Octane-5,6-Diol Diacetate; Crotepoxide
• Molecular Formula: C₁₈H₁₈O₈
• Molecular Weight: 362.34
• CAS Registry Number: 20421-13-0
• SMILES: [C@]23([C@@H]([C@@H]1O[C@@H]1[C@H]([C@@H]2OC(=O)C)OC(=O)C)O3)COC(=O)C4=CC=CC=C4
• InChI: 1S/C18H18O8/c1-9(19)23-13-12-14(25-12)16-18(26-16,15(13)24-10(2)20)8-22-17(21)11-6-4-3-5-7-11/h3-7,12-16H,8H2,1-2H3/t12-,13-,14-,15+,16-,18+/m1/s1
• InChIKey: ASAWUXMEXFAFMU-DBDULZNHSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 467.945°C at 760 mmHg (Cal.)
• Flash point: 206.208°C (Cal.)