Isodonoic Acid
[CAS# 84294-78-0]

Identification

• Name: Isodonoic Acid
• Synonyms: Spiro(Cyclohexane-1,4'(3'H)-(1H-7,9A)Methanocyclohepta(C)Pyran)-2-Carboxylic Acid, 6-(Acetyloxy)Hexahydro-5'-Hydroxy-3,3-Dimethyl-8'-Methylene-1',9'-Dioxo-, (4'S-(4'Alpha(2S*,6R*), 4'Abeta,5'Beta,7'Alpha,9'Aalpha))-
• Molecular Formula: C₂₂H₂₈O₈
• Molecular Weight: 420.46
• CAS Registry Number: 84294-78-0
• SMILES: [C@H]23[C@@]1(C(=O)C([C@@H](C1)C[C@@H]2O)=C)C(OC[C@@]34[C@@H](C(CC[C@@H]4OC(=O)C)(C)C)C(=O)O)=O
• InChI: 1S/C22H28O8/c1-10-12-7-13(24)15-21(8-12,17(10)25)19(28)29-9-22(15)14(30-11(2)23)5-6-20(3,4)16(22)18(26)27/h12-16,24H,1,5-9H2,2-4H3,(H,26,27)/t12-,13+,14+,15-,16-,21+,22+/m1/s1
• InChIKey: YYLPICOTWQVMKZ-OWAWIEFQSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 656.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 228.7±25.0°C (Cal.)