(2S)-4-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-3-one
[CAS# 122301-98-8]

Identification

• Name: (2S)-4-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-hydroxy-1-methyl-2-propan-2-yl-2H-pyrrol-3-one
• Synonyms: (2S)-4-[(1S,4Ar,6S,8R,8Ar)-2-[(2S,3S)-2,3-Dimethyloxiran-2-Yl]-6,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carbonyl]-5-Hydroxy-2-Isopropyl-1-Methyl-2H-Pyrrol-3-One; (2S)-4-[[(1S,4Ar,6S,8R,8Ar)-2-[(2S,3S)-2,3-Dimethyl-2-Oxiranyl]-6,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydronaphthalen-1-Yl]-Oxomethyl]-5-Hydroxy-2-Isopropyl-1-Methyl-2H-Pyrrol-3-One; (2S)-4-[(1S,4Ar,6S,8R,8Ar)-2-[(2S,3S)-2,3-Dimethyloxiran-2-Yl]-6,8-Dimethyl-1,2,4A,5,6,7,8,8A-Octahydronaphthalene-1-Carbonyl]-5-Hydroxy-2-Isopropyl-1-Methyl-2-Pyrrolin-3-One
• Molecular Formula: C₂₅H₃₇NO₄
• Molecular Weight: 415.57
• CAS Registry Number: 122301-98-8
• SMILES: [C@H]23[C@@H](C([C@@]1(O[C@H]1C)C)C=C[C@H]2C[C@H](C[C@H]3C)C)C(=O)C4=C(O)N([C@H](C4=O)C(C)C)C
• InChI: 1S/C25H37NO4/c1-12(2)21-23(28)20(24(29)26(21)7)22(27)19-17(25(6)15(5)30-25)9-8-16-11-13(3)10-14(4)18(16)19/h8-9,12-19,21,29H,10-11H2,1-7H3/t13-,14+,15-,16-,17?,18+,19+,21-,25+/m0/s1
• InChIKey: FKJKCZVRHZSDOT-GPFVDFRSSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 520.08°C at 760 mmHg (Cal.)
• Flash point: 268.335°C (Cal.)