9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Propionate
[CAS# 69224-79-9]

Identification

• Name: 9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Propionate
• Synonyms: [2-[(8S,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Propanoate; Propanoic Acid [2-[(8S,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Propionic Acid [2-[(8S,10S,11S,13S,14S,16S,17R)-9-Chloro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₅H₃₃ClO₆
• Molecular Weight: 464.99
• CAS Registry Number: 69224-79-9
• EINECS: 273-917-9
• SMILES: [C@H]34[C@H]2C(Cl)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)COC(=O)CC)C
• InChI: 1S/C25H33ClO6/c1-5-21(30)32-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24?,25-/m0/s1
• InChIKey: OPNPEZLXXKGRTA-OETUORLHSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 618.176°C at 760 mmHg (Cal.)
• Flash point: 327.661°C (Cal.)