Methyl 1,4a-Dimethyl-7-Propan-2-Ylidene-3,4,4b,5,6,9,10,10a-Octahydro-2H-Phenanthrene-1-Carboxylate
[CAS# 3310-97-2]

Identification

• Name: Methyl 1,4a-Dimethyl-7-Propan-2-Ylidene-3,4,4b,5,6,9,10,10a-Octahydro-2H-Phenanthrene-1-Carboxylate
• Synonyms: Methyl 7-Isopropylidene-1,4A-Dimethyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylate; 7-Isopropylidene-1,4A-Dimethyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylic Acid Methyl Ester; Methyl Neoabietate
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 3310-97-2
• SMILES: CC12C(C(C(OC)=O)(CCC1)C)CCC3=CC(CCC23)=C(C)C
• InChI: 1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13,17-18H,6-12H2,1-5H3
• InChIKey: XLNYKQDSHLEWFW-UHFFFAOYSA-N

Properties

• Density: 1.025g/cm³ (Cal.)
• Boiling point: 398.417°C at 760 mmHg (Cal.)
• Flash point: 189.415°C (Cal.)