Baycuten
[CAS# 77124-28-8]

Identification

• Name: Baycuten
• Synonyms: 2-Azido-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Acetamide; 1-[(2-Chlorophenyl)-Di(Phenyl)Methyl]Imidazole; (8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; 2-Azido-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Acetamide; 1-[(2-Chlorophenyl)-Di(Phenyl)Methyl]Imidazole; (8S,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₅₅H₅₉ClFN₇O₁₀
• Molecular Weight: 1032.56
• CAS Registry Number: 77124-28-8
• SMILES: N(=[N+]=[N-])CC(=O)N[C@@H]([C@H](O)C1=CC=C([N+]([O-])=O)C=C1)CO.[C@H]45[C@H]3C(F)([C@@]2(C(=CC(=O)C=C2)CC3)C)[C@@H](O)C[C@@]4([C@](O)([C@@H](C5)C)C(=O)CO)C.C9=C(C([N]6C=NC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=CC=C9)Cl
• InChI: 1S/C22H17ClN2.C22H29FO5.C11H13N5O5/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-17H;6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;1-4,9,11,17,19H,5-6H2,(H,14,18)/t;12-,15+,16+,17+,19+,20+,21?,22+;9-,11-/m.11/s1
• InChIKey: VTRIDVIMIJQKLG-RARXGSKNSA-N

Properties

• Boiling point: 568.2°C at 760 mmHg (Cal.)
• Flash point: 297.5°C (Cal.)