Clomegestone
[CAS# 424-89-5]

Identification

• Name: Clomegestone
• Synonyms: Acetic Acid [(9S,14S,16R,17R)-17-Acetyl-6-Chloro-10,13,16-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(9S,14S,16R,17R)-17-Acetyl-6-Chloro-3-Keto-10,13,16-Trimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(9S,14S,16R,17R)-6-Chloro-17-Ethanoyl-10,13,16-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₄H₃₁ClO₄
• Molecular Weight: 418.96
• CAS Registry Number: 424-89-5
• SMILES: [C@H]12C([C@](OC(=O)C)([C@@H](C1)C)C(=O)C)(CC[C@H]3C2C=C(Cl)C4=CC(=O)CCC34C)C
• InChI: 1S/C24H31ClO4/c1-13-10-19-17-12-21(25)20-11-16(28)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)26)29-15(3)27/h11-13,17-19H,6-10H2,1-5H3/t13-,17?,18+,19+,22?,23?,24+/m1/s1
• InChIKey: WWSKHPDYSWDMNC-AJGRBHDYSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 518.12°C at 760 mmHg (Cal.)
• Flash point: 169.329°C (Cal.)