Hyodeoxyoxazoline
[CAS# 95511-28-7]

Identification

• Name: Hyodeoxyoxazoline
• Synonyms: (3R,5R,6S,8S,9S,10R,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]Phenanthrene-3,6-Diol; (3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-3-(4,4-Dimethyl-5H-O
• Molecular Formula: C₂₈H₄₇NO₃
• Molecular Weight: 445.68
• CAS Registry Number: 95511-28-7
• 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]([C@@H](O)C4)C[C@H](O)CC5)C)C
• InChI: 1S/C28H47NO3/c1-17(6-9-25-29-26(2,3)16-32-25)20-7-8-21-19-15-24(31)23-14-18(30)10-12-28(23,5)22(19)11-13-27(20,21)4/h17-24,30-31H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22+,23+,24+,27-,28-/m1/s1
• InChIKey: GDHKZXQQQIMYAM-UYYKWOEPSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 546.95°C at 760 mmHg (Cal.)
• Flash point: 284.586°C (Cal.)