Abieta-8,11,13-Triene-19-Oic Acid
[CAS# 5155-70-4]

Identification

• Name: Abieta-8,11,13-Triene-19-Oic Acid
• Synonyms: (1S,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthrene-1-Carboxylic Acid; 13-Isopropylpodocarpa-8,11,13-Trien-16-Oic Acid
• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.44
• CAS Registry Number: 5155-70-4
• SMILES: [C@]12(C([C@](CCC1)(C(O)=O)C)CCC3=C2C=CC(=C3)C(C)C)C
• InChI: 1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17?,19-,20+/m1/s1
• InChIKey: NFWKVWVWBFBAOV-GQXIWKRZSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 425.085°C at 760 mmHg (Cal.)
• Flash point: 202.504°C (Cal.)