(3beta)-6-Nitro-Cholest-5-En-3-Ol
[CAS# 82048-76-8]

Identification

• Name: (3beta)-6-Nitro-Cholest-5-En-3-Ol
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-6-Nitro-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; 6-(Hydroxy(Oxido)Amino)Cholest-5-En-3-Ol; Aids-126796
• Molecular Formula: C₂₇H₄₅NO₃
• Molecular Weight: 431.66
• CAS Registry Number: 82048-76-8
• SMILES: C(C(C4C3(C(C1C(C2(C(=C([N+]([O-])=O)C1)CC(O)CC2)C)CC3)CC4)C)C)CCC(C)C
• InChI: 1S/C27H45NO3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28(30)31)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23,29H,6-16H2,1-5H3
• InChIKey: PGRKJDDEUNIWAZ-UHFFFAOYSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 536.737°C at 760 mmHg (Cal.)
• Flash point: 197.206°C (Cal.)