Acetoxyvalerenic Acid
[CAS# 81397-67-3]

Identification

• Name: Acetoxyvalerenic Acid
• Synonyms: (E)-3-[(1R,4S,7R,7Ar)-1-Acetoxy-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl]-2-Methyl-Prop-2-Enoic Acid; (E)-3-[(1R,4S,7R,7Ar)-1-Acetoxy-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl]-2-Methylprop-2-Enoic Acid; (E)-3-[(1R,4S,7R,7Ar)-1-Acetoxy-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl]-2-Methyl-Acrylic Acid
• Molecular Formula: C₁₇H₂₄O₄
• Molecular Weight: 292.37
• CAS Registry Number: 81397-67-3
• SMILES: [C@@H]12C(=C(C[C@H]1OC(=O)C)C)[C@@H](CC[C@H]2C)\C=C(C(=O)O)/C
• InChI: 1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
• InChIKey: VBBXZFLAYWAXSK-HYJCDKNOSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 427.005°C at 760 mmHg (Cal.)
• Flash point: 150.276°C (Cal.)