Deoxycorticosterone Nitroxide
[CAS# 69081-49-8]

Identification

• Name: Deoxycorticosterone Nitroxide
• Synonyms: [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 1-Hydroxy-2,2,5,5-Tetramethyl-Pyrrole-3-Carboxylate; 1-Hydroxy-2,2,5,5-Tetramethyl-3-Pyrrolecarboxylic Acid [2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 1-Hydroxy-2,2,5,5-Tetramethyl-3-Pyrroline-3-Carboxylic Acid [2-Keto-2-[(8S,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester
• Molecular Formula: C₃₀H₄₃NO₅
• Molecular Weight: 497.67
• CAS Registry Number: 69081-49-8
• SMILES: [C@H]35[C@H]1[C@@]([C@H](CC1)C(=O)COC(=O)C2=CC(N(O)C2(C)C)(C)C)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)CC5)C)C
• InChI: 1S/C30H43NO5/c1-27(2)16-24(28(3,4)31(27)35)26(34)36-17-25(33)23-10-9-21-20-8-7-18-15-19(32)11-13-29(18,5)22(20)12-14-30(21,23)6/h15-16,20-23,35H,7-14,17H2,1-6H3/t20-,21-,22-,23+,29-,30-/m0/s1
• InChIKey: UMNIRIWVFVQFDF-RHAVWAHXSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 615.629°C at 760 mmHg (Cal.)
• Flash point: 326.121°C (Cal.)