Glyceryl Abietate
[CAS# 1337-89-9]

Identification

• Name: Glyceryl Abietate
• Synonyms: (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid; Glycerol; Abietic Acid, Glyceryl Ester; Glyceryl Abietate
• Molecular Formula: C₂₃H₃₈O₅
• Molecular Weight: 394.55
• CAS Registry Number: 1337-89-9
• SMILES: [C@]12([C@H]([C@@](CCC1)(C(=O)O)C)CC=C3[C@@H]2CCC(=C3)C(C)C)C.C(O)C(O)CO
• InChI: 1S/C20H30O2.C3H8O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;4-1-3(6)2-5/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);3-6H,1-2H2/t16-,17+,19+,20+;/m0./s1
• InChIKey: PICABBUEHGURLB-XTICBAGASA-N

Properties

• Boiling point: 439.5°C at 760 mmHg (Cal.)
• Flash point: 208.1°C (Cal.)