Isodonal
[CAS# 16964-56-0]

Identification

• Name: Isodonal
• Synonyms: Isodonal
• Molecular Formula: C₂₂H₂₈O₇
• Molecular Weight: 404.46
• CAS Registry Number: 16964-56-0
• SMILES: [C@]234[C@H]([C@]1([C@@H](C(C)(C)CC[C@@H]1OC2=O)C=O)COC(=O)C)[C@@H](O)C[C@H](C3)C(C4=O)=C
• InChI: 1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1
• InChIKey: QKDLQFSLLCQTOH-MVVUPFSZSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 591.428°C at 760 mmHg (Cal.)
• Flash point: 204.7°C (Cal.)