15-Hydroperoxyabietic Acid
[CAS# 113903-96-1]

Identification

• Name: 15-Hydroperoxyabietic Acid
• Synonyms: Methyl (1R,4Ar,4Br,10Ar)-7-(1-Hydroperoxy-1-Methyl-Ethyl)-4A-Methyl-2,3,4,4B,5,6,10,10A-Octahydro-1H-Phenanthrene-1-Carboxylate; (1R,4Ar,4Br,10Ar)-7-(1-Hydroperoxy-1-Methylethyl)-4A-Methyl-2,3,4,4B,5,6,10,10A-Octahydro-1H-Phenanthrene-1-Carboxylic Acid Methyl Ester; (1R,4Ar,4Br,10Ar)-7-(1-Hydroperoxy-1-Methyl-Ethyl)-4A-Methyl-2,3,4,4B,5,6,10,10A-Octahydro-1H-Phenanthrene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 113903-96-1
• SMILES: [C@H]2(CCC[C@]3([C@H]1CCC(=CC1=CC[C@H]23)C(C)(C)OO)C)C(=O)OC
• InChI: 1S/C20H30O4/c1-19(2,24-22)14-8-10-16-13(12-14)7-9-17-15(18(21)23-4)6-5-11-20(16,17)3/h7,12,15-17,22H,5-6,8-11H2,1-4H3/t15-,16+,17-,20+/m1/s1
• InChIKey: CMIAIUZBKPLIOP-YZLZLFLDSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 461.315°C at 760 mmHg (Cal.)
• Flash point: 156.93°C (Cal.)