Monochlorodehydroabietic acid
[CAS# 57055-38-6]

Identification

• Name: Monochlorodehydroabietic acid
• Synonyms: Methyl (1R,4As,10Ar)-1-Chloro-7-Isopropyl-4A-Methyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylate; (1R,4As,10Ar)-1-Chloro-7-Isopropyl-4A-Methyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid Methyl Ester; 1-Phenanthrenecarboxylic Acid, Chloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1Theta-(1Alpha,4Abeta,10Aalpha))-
• Molecular Formula: C₂₀H₂₇ClO₂
• Molecular Weight: 334.89
• CAS Registry Number: 57055-38-6
• SMILES: [C@]2(CCC[C@@]3(C1=C(C=C(C=C1)C(C)C)CC[C@@H]23)C)(C(=O)OC)Cl
• InChI: 1S/C20H27ClO2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,21)18(22)23-4/h6,8,12-13,17H,5,7,9-11H2,1-4H3/t17-,19-,20-/m1/s1
• InChIKey: OUORCJOLWODUOZ-MISYRCLQSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 410.567°C at 760 mmHg (Cal.)
• Flash point: 203.369°C (Cal.)