9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Valerate
[CAS# 52619-18-8]

Identification

• Name: 9-Chloro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17-Valerate
• Synonyms: Pentanoic 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; Valeric 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] Pentanoate
• Molecular Formula: C₂₇H₃₇ClO₆
• Molecular Weight: 493.04
• CAS Registry Number: 52619-18-8
• EINECS: 258-050-6
• SMILES: [C@H]12[C@@]([C@](OC(=O)CCCC)([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/C27H37ClO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
• InChIKey: CYBACPSHBXABHX-SUYDQAKGSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 626.937°C at 760 mmHg (Cal.)
• Flash point: 332.96°C (Cal.)