Methyl 2-[(1R,3aS,4S,7aS)-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7alpha-Methyl-5-Oxo-2,3,3a,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoate
[CAS# 103596-05-0]

Identification

• Name: Methyl 2-[(1R,3aS,4S,7aS)-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7alpha-Methyl-5-Oxo-2,3,3a,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoate
• Synonyms: Methyl 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-7A-Methyl-5-Oxo-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoate; 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methylphenyl)Ethyl]-7A-Methyl-5-Oxo-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propanoic Acid Methyl Ester; 2-[(1R,3As,4S,7As)-4-[2-(5-Hydroxy-2-Methyl-Phenyl)Ethyl]-5-Keto-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-1-Yl]Propionic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50
• CAS Registry Number: 103596-05-0
• SMILES: [C@@H]1(CC[C@H]2[C@@H](C(CC[C@]12C)=O)CCC3=CC(=CC=C3C)O)C(C(=O)OC)C
• InChI: 1S/C23H32O4/c1-14-5-7-17(24)13-16(14)6-8-18-20-10-9-19(15(2)22(26)27-4)23(20,3)12-11-21(18)25/h5,7,13,15,18-20,24H,6,8-12H2,1-4H3/t15?,18-,19+,20-,23+/m0/s1
• InChIKey: FQTXLEJDKGILIT-HTSURARHSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 503.886°C at 760 mmHg (Cal.)
• Flash point: 167.646°C (Cal.)