Methyl (1R,4aR)-7-Ethenyl-1,4a,7-Trimethyl-3,4,4b,5,6,9,10,10a-Octahydro-2H-Phenanthrene-1-Carboxylate
[CAS# 3730-56-1]

Identification

• Name: Methyl (1R,4aR)-7-Ethenyl-1,4a,7-Trimethyl-3,4,4b,5,6,9,10,10a-Octahydro-2H-Phenanthrene-1-Carboxylate
• Synonyms: Methyl (1R,4Ar)-1,4A,7-Trimethyl-7-Vinyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylate; (1R,4Ar)-1,4A,7-Trimethyl-7-Vinyl-3,4,4B,5,6,9,10,10A-Octahydro-2H-Phenanthrene-1-Carboxylic Acid Methyl Ester; 1-Phenanthrenecarboxylic Acid, 7-Ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-Dodecahydro-1,4A,7-Trimethyl-, Methyl Ester, (1R-(1Alpha,4Abeta,4Balpha,7Beta,10Aalpha))-
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 3730-56-1
• SMILES: [C@]12(C([C@](C(OC)=O)(CCC1)C)CCC3=CC(CCC23)(C=C)C)C
• InChI: 1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16?,17?,19?,20-,21-/m1/s1
• InChIKey: BGCXKCIPDDNDEV-ZVMPEUKOSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 380.551°C at 760 mmHg (Cal.)
• Flash point: 178.229°C (Cal.)