Valerenolic Acid
[CAS# 81397-68-4]

Identification

• Name: Valerenolic Acid
• Synonyms: (E)-3-(1-Hydroxy-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl)-2-Methyl-Prop-2-Enoic Acid; (E)-3-(1-Hydroxy-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl)-2-Methyl-Acrylic Acid; 2-Propenoic Acid, 3-(2,4,5,6,7,7A-Hexahydro-1-Hydroxy-3,7-Dimethyl-1H-Inden-4-Yl)-2-Methyl-
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34
• CAS Registry Number: 81397-68-4
• SMILES: CC1=C2C(C(O)C1)C(CCC2\C=C(C(=O)O)/C)C
• InChI: 1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+
• InChIKey: XJNQXTISSHEQKD-UXBLZVDNSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 426.016°C at 760 mmHg (Cal.)
• Flash point: 225.591°C (Cal.)