Nicocortonide Acetate
[CAS# 28202-60-0]

Identification

• Name: Nicocortonide Acetate
• Synonyms: Pregn-4-Ene-3,20-Dione, 11Beta,14,17,21-Tetrahydroxy-, Cyclic 14,17-Acetal With Crotonaldehyde, 21-Acetate; Pregn-4-Ene-3,20-Dione, 21-(Acetyloxy)-14,17-(2-Butenylidenebis(Oxy))-11-Hydroxy-, (11Beta)-; Crotonaldehyde, Cyclic 14,17-Acetal With 11Beta,14,17,21-Tetrahydroxypregn-4-Ene-3,20-Dione 21-Acetate
• Molecular Formula: C₂₇H₃₆O₇
• Molecular Weight: 472.58
• CAS Registry Number: 28202-60-0
• SMILES: [C@@]15(C2(OC(O[C@@]1(CC2)C(=O)COC(=O)C)\C=C\C)[C@H]4[C@@H]([C@@]3(C(=CC(=O)CC3)CC4)C)[C@@H](O)C5)C
• InChI: 1S/C27H36O7/c1-5-6-22-33-26-11-12-27(34-22,21(31)15-32-16(2)28)25(26,4)14-20(30)23-19(26)8-7-17-13-18(29)9-10-24(17,23)3/h5-6,13,19-20,22-23,30H,7-12,14-15H2,1-4H3/b6-5+/t19-,20+,22?,23-,24+,25+,26?,27+/m1/s1
• InChIKey: AKOXWWDBTJVZFQ-NZIBIKPMSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 607.939°C at 760 mmHg (Cal.)
• Flash point: 199.111°C (Cal.)