(3S,3aR,4S,6aS,7E,15aS)-3,3a,4,6a,9,10,13,14-Octahydro-4,5,8-Trimethyl-3-(2-Methylpropyl)-1H-Cycloundec(d)Isoindole-1,11,12,15(2H)-Tetrone
[CAS# 72363-48-5]

Identification

• Name: (3S,3aR,4S,6aS,7E,15aS)-3,3a,4,6a,9,10,13,14-Octahydro-4,5,8-Trimethyl-3-(2-Methylpropyl)-1H-Cycloundec(d)Isoindole-1,11,12,15(2H)-Tetrone
• Molecular Formula: C₂₄H₃₃NO₄
• Molecular Weight: 399.53
• CAS Registry Number: 72363-48-5
• SMILES: [C@]123[C@H]([C@@H](NC1=O)CC(C)C)[C@@H](C(=C[C@@H]2\C=C(CCC(=O)C(=O)CCC3=O)\C)C)C
• InChI: 1S/C24H33NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h11-13,16-18,22H,6-10H2,1-5H3,(H,25,29)/b14-11-/t16-,17+,18+,22+,24-/m1/s1
• InChIKey: BPFQGYYSWWQTFO-VIMWNUOGSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 599.51°C at 760 mmHg (Cal.)
• Flash point: 180.544°C (Cal.)