(4S,7aR)-7a-Methyl-1-[(2S)-1-oxo-2-propanyl]octahydro-1H-inden-4-yl benzoate
[CAS# 66774-71-8]

Identification

• Name: (4S,7aR)-7a-Methyl-1-[(2S)-1-oxo-2-propanyl]octahydro-1H-inden-4-yl benzoate
• Synonyms: (1S-methyl-2-oxo-ethyl)-octahydro-inden-4S-yl ester; (4S,7aR)-7a-methyl-1-[(2S)-1-oxopropan-2-yl]-octahydro-1H-inden-4-yl benzoate; Benzoic acid 7R-methyl-1-
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 66774-71-8
• SMILES: C[C@H](C=O)C1CCC2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C
• InChI: 1S/C20H26O3/c1-14(13-21)16-10-11-17-18(9-6-12-20(16,17)2)23-19(22)15-7-4-3-5-8-15/h3-5,7-8,13-14,16-18H,6,9-12H2,1-2H3/t14-,16?,17?,18+,20-/m1/s1
• InChIKey: DCXYXPCMRLYABB-IENKHFCQSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 422.4±18.0°C at 760 mmHg (Cal.)
• Flash point: 183.2±21.3°C (Cal.)