3-[(2R,5aS,8aS,8bS)-5alpha-Methyl-6-Oxo-2-Prop-1-En-2-Yl-1,2,4,5,7,8,8a,8b-Octahydro-as-Indacen-3-Yl]Propyl Acetate
[CAS# 145458-97-5]

Identification

• Name: 3-[(2R,5aS,8aS,8bS)-5alpha-Methyl-6-Oxo-2-Prop-1-En-2-Yl-1,2,4,5,7,8,8a,8b-Octahydro-as-Indacen-3-Yl]Propyl Acetate
• Synonyms: 3-[(2R,5As,8As,8Bs)-2-Isopropenyl-5A-Methyl-6-Oxo-1,2,4,5,7,8,8A,8B-Octahydro-As-Indacen-3-Yl]Propyl Acetate; Acetic Acid 3-[(2R,5As,8As,8Bs)-2-Isopropenyl-5A-Methyl-6-Oxo-1,2,4,5,7,8,8A,8B-Octahydro-As-Indacen-3-Yl]Propyl Ester; Acetic Acid 3-[(2R,5As,8As,8Bs)-2-Isopropenyl-6-Keto-5A-Methyl-1,2,4,5,7,8,8A,8B-Octahydro-As-Indacen-3-Yl]Propyl Ester
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 145458-97-5
• SMILES: [C@H]23[C@H]1C(=C([C@H](C1)C(=C)C)CCCOC(=O)C)CC[C@@]2(C(=O)CC3)C
• InChI: 1S/C21H30O3/c1-13(2)17-12-18-16(15(17)6-5-11-24-14(3)22)9-10-21(4)19(18)7-8-20(21)23/h17-19H,1,5-12H2,2-4H3/t17-,18-,19+,21+/m1/s1
• InChIKey: GHBAWIZUVFCJBD-BNDYYXHWSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 443.759°C at 760 mmHg (Cal.)
• Flash point: 191.815°C (Cal.)