9-Chloro-11beta,17-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione
[CAS# 57780-87-7]

Identification

• Name: 9-Chloro-11beta,17-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione
• Synonyms: (8S,10S,11S,13S,14S,16S,17R)-9-Chloro-17-Ethanoyl-11,17-Dihydroxy-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; 9-Chloro-11Beta,17-Dihydroxy-16Beta-Methylpregna-1,4-Diene-3,20-Dione
• Molecular Formula: C₂₂H₂₉ClO₄
• Molecular Weight: 392.92
• CAS Registry Number: 57780-87-7
• EINECS: 260-950-9
• 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)C)C
• InChI: 1S/C22H29ClO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21?,22-/m0/s1
• InChIKey: PPHLHSSXDSBOAQ-CDAMQKEZSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 559.129°C at 760 mmHg (Cal.)
• Flash point: 291.951°C (Cal.)