7-Oxodehydroabietic Acid
[CAS# 18684-55-4]

Identification

• Name: 7-Oxodehydroabietic Acid
• Synonyms: (1R,4As,10Ar)-7-Isopropyl-1,4A-Dimethyl-9-Oxo-3,4,10,10A-Tetrahydro-2H-Phenanthrene-1-Carboxylic Acid; (1R,4As,10Ar)-7-Isopropyl-9-Keto-1,4A-Dimethyl-3,4,10,10A-Tetrahydro-2H-Phenanthrene-1-Carboxylic Acid; 7-Oxodehydroabietic Acid
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 18684-55-4
• SMILES: [C@H]13[C@@](C2=C(C(C1)=O)C=C(C(C)C)C=C2)(CCC[C@]3(C(=O)O)C)C
• InChI: 1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
• InChIKey: MSWJSDLNPCSSNW-MISYRCLQSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 475.414°C at 760 mmHg (Cal.)
• Flash point: 255.433°C (Cal.)