Acetylisomerulidial
[CAS# 121843-90-1]

Identification

• Name: Acetylisomerulidial
• Synonyms: Ccris 2853
• Molecular Formula: C₁₇H₂₂O₄
• Molecular Weight: 290.36
• CAS Registry Number: 121843-90-1
• SMILES: [C@]13([C@@]([C@@H](OC(=O)C)[C@H]2C(=C1C=O)CC(C2)(C)C)(C3)C)C=O
• InChI: 1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16-,17-/m1/s1
• InChIKey: MJXHKPSYLUUZDJ-JWZBEHFJSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 386.188°C at 760 mmHg (Cal.)
• Flash point: 168.274°C (Cal.)