(1S,4aS,10aS)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-1-Phenanthrenecarboxylic acid
[CAS# 57345-30-9]

Identification

• Name: (1S,4aS,10aS)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-1-Phenanthrenecarboxylic acid
• Synonyms: Podocarpa-8,11,13-Trien-16-Oic Acid; 1-Phenanthrenecarboxylic Acid, 1,2,3,4,4A,9,10,10A-Octahydro-1,4A-Dimethyl-, [1S-(1.Alpha.,4A.Alpha.,10A.Beta.)]-; 5-Epideoxypodocarpic Acid
• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.36
• CAS Registry Number: 57345-30-9
• SMILES: C1=CC3=C(C=C1)C2(CCCC(C2CC3)(C(=O)O)C)C
• InChI: 1S/C17H22O2/c1-16-10-5-11-17(2,15(18)19)14(16)9-8-12-6-3-4-7-13(12)16/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,18,19)
• InChIKey: AWKGAVJHWWZEMY-UHFFFAOYSA-N

Properties

• Density: 1.106g/cm³ (Cal.)
• Boiling point: 393.612°C at 760 mmHg (Cal.)
• Flash point: 185.922°C (Cal.)