Methyl Abietan-18-Oate
[CAS# 32208-29-0]

Identification

• Name: Methyl Abietan-18-Oate
• Synonyms: 1-Phenanthrenecarboxylic acid, tetradecahydro-1, 4a-dimethyl-7- (1-methylethyl)-, methyl ester, [1R-(1α, 4aβ,4bα,7α,8aβ,10aα)]-; 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bS,7R,8aS,10aR)-; 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1θ-(1α,4aβ,4bα,7β,8aβ,10aα))-
• Molecular Formula: C₂₁H₃₆O₂
• Molecular Weight: 320.51
• CAS Registry Number: 32208-29-0
• SMILES: O=C(OC)C3(C2CCC1CC(CCC1C2(C)CCC3)C(C)C)C
• InChI: 1S/C21H36O2/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/h14-18H,6-13H2,1-5H3
• InChIKey: FJHHBOWEISXQJX-UHFFFAOYSA-N

Properties

• Density: 0.962g/cm³ (Cal.)
• Boiling point: 351.894°C at 760 mmHg (Cal.)
• Flash point: 179.87°C (Cal.)