Dihydroagathic Acid
[CAS# 5956-15-0]

Identification

• Name: Dihydroagathic Acid
• Synonyms: (1R,4Ar,5S,8Ar)-5-(5-Hydroxy-3-Methyl-5-Oxo-Pentyl)-1,4A-Dimethyl-6-Methylene-Decalin-1-Carboxylic Acid; (1R,4Ar,5S,8Ar)-5-(5-Hydroxy-3-Methyl-5-Oxopentyl)-1,4A-Dimethyl-6-Methylene-1-Decalincarboxylic Acid; (1R,4Ar,5S,8Ar)-5-(5-Hydroxy-5-Keto-3-Methyl-Pentyl)-1,4A-Dimethyl-6-Methylene-Decalin-1-Carboxylic Acid
• Molecular Formula: C₂₀H₃₂O₄
• Molecular Weight: 336.47
• CAS Registry Number: 5956-15-0
• SMILES: [C@]12([C@H]([C@](C(=O)O)(CCC1)C)CCC([C@@H]2CCC(CC(=O)O)C)=C)C
• InChI: 1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13?,15-,16+,19+,20+/m0/s1
• InChIKey: HPQKNJHVWUWAOR-QEQIUYPFSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 486.695°C at 760 mmHg (Cal.)
• Flash point: 262.248°C (Cal.)