(11beta)-11,21-dihydroxy-17-(1-oxobutoxy)-Pregn-4-ene-3,20-dione mixt. with 5,7-dichloro-2-methyl-8-quinolinol
[CAS# 135467-84-4]

Identification

• Name: (11beta)-11,21-dihydroxy-17-(1-oxobutoxy)-Pregn-4-ene-3,20-dione mixt. with 5,7-dichloro-2-methyl-8-quinolinol
• Synonyms: 5,7-Dichloro-2-Methyl-Quinolin-8-Ol; [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Butanoate; Butanoic Acid [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 5,7-Dichloro-2-Methyl-8-Quinolinol; Butyric Acid [(8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 5,7-Dichloro-2-Methyl-Quinolin-8-Ol
• Molecular Formula: C₃₅H₄₃Cl₂NO₇
• Molecular Weight: 660.63
• CAS Registry Number: 135467-84-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](OC(=O)CCC)(CC4)C(=O)CO)C.C6=C(Cl)C5=CC=C(N=C5C(=C6Cl)O)C
• InChI: 1S/C25H36O6.C10H7Cl2NO/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3;1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3;2-4,14H,1H3/t17-,18-,19-,22+,23-,24-,25-;/m0./s1
• InChIKey: MAFGBWPMBVXVNI-PVHZEMNUSA-N

Properties

• Boiling point: 585.6°C at 760 mmHg (Cal.)
• Flash point: 194°C (Cal.)