Croomine
[CAS# 71239-66-2]

Identification

• Name: Croomine
• Synonyms: (3S,3'R,9S,9As)-3'-Methyl-3-[(2S,4S)-4-Methyl-5-Oxo-Tetrahydrofuran-2-Yl]Spiro[1,2,3,5,6,7,8,9A-Octahydropyrrolo[1,2-A]Azepine-9,5'-Tetrahydrofuran]-2'-One; (3S,3'R,9S,9As)-3'-Methyl-3-[(2S,4S)-4-Methyl-5-Oxo-2-Tetrahydrofuranyl]-2'-Spiro[1,2,3,5,6,7,8,9A-Octahydropyrrolo[1,2-A]Azepine-9,5'-Tetrahydrofuran]One; (3S,3'R,9S,9As)-3-[(2S,4S)-5-Keto-4-Methyl-Tetrahydrofuran-2-Yl]-3'-Methyl-Spiro[1,2,3,5,6,7,8,9A-Octahydropyrrolo[1,2-A]Azepine-9,5'-Tetrahydrofuran]-2'-One
• Molecular Formula: C₁₈H₂₇NO₄
• Molecular Weight: 321.42
• CAS Registry Number: 71239-66-2
• SMILES: [C@]34([C@H]2N([C@H]([C@H]1OC(=O)[C@H](C1)C)CC2)CCCC3)OC(=O)[C@@H](C4)C
• InChI: 1S/C18H27NO4/c1-11-9-14(22-16(11)20)13-5-6-15-18(7-3-4-8-19(13)15)10-12(2)17(21)23-18/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,18-/m0/s1
• InChIKey: FOGTVYCUHQOMDW-QANXDEHQSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 522.928°C at 760 mmHg (Cal.)
• Flash point: 270.057°C (Cal.)