14-Chlorodehydroabietic Acid
[CAS# 65281-76-7]

Identification

• Name: 14-Chlorodehydroabietic Acid
• Synonyms: (1R,4As,10Ar)-8-Chloro-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid; 1-Phenanthrenecarboxylic Acid, 8-Chloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R,4As,10Ar)-; 1-Phenanthrenecarboxylic Acid, 8-Chloro-1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R-(1Alpha,4Abeta,10Aalpha))-
• Molecular Formula: C₂₀H₂₇ClO₂
• Molecular Weight: 334.89
• CAS Registry Number: 65281-76-7
• SMILES: [C@H]13[C@@](C2=C(CC1)C(=C(C=C2)C(C)C)Cl)(CCC[C@]3(C(=O)O)C)C
• InChI: 1S/C20H27ClO2/c1-12(2)13-6-8-15-14(17(13)21)7-9-16-19(15,3)10-5-11-20(16,4)18(22)23/h6,8,12,16H,5,7,9-11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1
• InChIKey: OFNBZEHVLIXXFL-NSISKUIASA-N

Properties

• Density: 1.133g/cm³ (Cal.)
• Boiling point: 450.704°C at 760 mmHg (Cal.)
• Flash point: 226.378°C (Cal.)