9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Propionate
[CAS# 5534-18-9]

Identification

• Name: 9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Propionate
• Synonyms: Propanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Propionic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-17-Glycoloyl-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Chloro-11-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Propanoate
• Molecular Formula: C₂₅H₃₃ClO₆
• Molecular Weight: 464.99
• CAS Registry Number: 5534-18-9
• EINECS: 226-888-1
• SMILES: [C@H]12[C@@]([C@](OC(=O)CC)([C@H](C1)C)C(=O)CO)(C[C@H](O)[C@@]3(Cl)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C25H33ClO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
• InChIKey: OHYGPBKGZGRQKT-XGQKBEPLSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 608.862°C at 760 mmHg (Cal.)
• Flash point: 322.028°C (Cal.)