Humulinic Acid
[CAS# 520-40-1]

Identification

• Name: Humulinic Acid
• Synonyms: 1-Butanone, 3-Methyl-1-(2,3,5-Trihydroxy-4-(3-Methyl-2-Butenyl)-1,4-Cyclopentadien-1-Yl)-; Humulinic Acid; 1-Butanone, 3-Methyl-1-[2,3,5-Trihydroxy-4-(3-Methyl-2-Butenyl)-1,4-Cyclopentadien-1-Yl]-
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 520-40-1
• SMILES: C(C1=C(O)C(=C(C1O)O)C(=O)CC(C)C)C=C(C)C
• InChI: 1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9,14,17-19H,6-7H2,1-4H3
• InChIKey: VRBDOLKCKSULIG-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 425.735°C at 760 mmHg (Cal.)
• Flash point: 225.421°C (Cal.)