26-Nor-25-Doxylcholestanol
[CAS# 96203-22-4]

Identification

• Name: 26-Nor-25-Doxylcholestanol
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-Methyl-4-(2,4,4-Trimethyl-3-Oxido-Oxazolidin-2-Yl)Butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-Meth
• Molecular Formula: C₃₀H₅₂NO₃
• Molecular Weight: 474.75
• CAS Registry Number: 96203-22-4
• SMILES: [C@H]34[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC2(OCC(N2[O-])(C)C)C)C)(CC[C@@H]3[C@@]5([C@@H](CC4)C[C@@H](O)CC5)C)C
• InChI: 1S/C30H52NO3/c1-20(8-7-15-30(6)31(33)27(2,3)19-34-30)24-11-12-25-23-10-9-21-18-22(32)13-16-28(21,4)26(23)14-17-29(24,25)5/h20-26,32H,7-19H2,1-6H3/q-1/t20-,21+,22+,23+,24-,25+,26+,28+,29-,30?/m1/s1
• InChIKey: FFRJSKDVDFPYMM-KYQYSKTRSA-N

Properties

• Boiling point: 567.588°C at 760 mmHg (Cal.)
• Flash point: 297.067°C (Cal.)