Lithooxazoline
[CAS# 80724-92-1]

Identification

• Name: Lithooxazoline
• Synonyms: (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(4,4-Dimethyl-5H-Oxazol-2-Yl)-1-Methyl-Propyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-(4,4-Dimethyl-5H-Oxazol-2-Yl)-1-Methylpropyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 24-Norcholan-3-Ol, 23-(4,5-Dihydro-4,4-Dimethyl-2-Oxazolyl)-, (3Alpha,5Beta)-
• Molecular Formula: C₂₈H₄₇NO₂
• Molecular Weight: 429.68
• CAS Registry Number: 80724-92-1
• SMILES: [C@H]34[C@H]1[C@@]([C@H](CC1)[C@@H](CCC2=NC(CO2)(C)C)C)(CC[C@@H]3[C@@]5([C@H](CC4)C[C@H](O)CC5)C)C
• InChI: 1S/C28H47NO2/c1-18(6-11-25-29-26(2,3)17-31-25)22-9-10-23-21-8-7-19-16-20(30)12-14-27(19,4)24(21)13-15-28(22,23)5/h18-24,30H,6-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1
• InChIKey: IWBRPFCTPVMWIJ-CUYCEIPOSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 515.126°C at 760 mmHg (Cal.)
• Flash point: 265.339°C (Cal.)