[(1S,3aS,5S,7R,7aR)-1-(1-Acetyloxyethyl)-4-Methylidene-2-Oxo-7-Propan-2-Yl-3,3a,5,6,7,7a-Hexahydro-1H-Inden-5-Yl] (E)-3-Methylpent-2-Enoate
[CAS# 126453-63-2]

Identification

• Name: [(1S,3aS,5S,7R,7aR)-1-(1-Acetyloxyethyl)-4-Methylidene-2-Oxo-7-Propan-2-Yl-3,3a,5,6,7,7a-Hexahydro-1H-Inden-5-Yl] (E)-3-Methylpent-2-Enoate
• Synonyms: [(1S,3As,5S,7R,7Ar)-1-(1-Acetoxyethyl)-7-Isopropyl-4-Methylene-2-Oxo-3,3A,5,6,7,7A-Hexahydro-1H-Inden-5-Yl] (E)-3-Methylpent-2-Enoate; (E)-3-Methylpent-2-Enoic Acid [(1S,3As,5S,7R,7Ar)-1-(1-Acetoxyethyl)-7-Isopropyl-4-Methylene-2-Oxo-3,3A,5,6,7,7A-Hexahydro-1H-Inden-5-Yl] Ester; (E)-3-Methylpent-2-Enoic Acid [(1S,3As,5S,7R,7Ar)-1-(1-Acetoxyethyl)-7-Isopropyl-2-Keto-4-Methylene-3,3A,5,6,7,7A-Hexahydro-1H-Inden-5-Yl] Ester
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 126453-63-2
• SMILES: [C@H]12[C@@H](C([C@@H](OC(=O)\C=C(\CC)C)C[C@@H]1C(C)C)=C)CC(=O)[C@@H]2C(OC(=O)C)C
• InChI: 1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15?,17-,18-,20+,22+,23-/m1/s1
• InChIKey: CFUPNMDNSQIWBB-MTLBRCJSSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 471.329°C at 760 mmHg (Cal.)
• Flash point: 200.673°C (Cal.)