Chlormadinone-17-acetate 3beta-hemisuccinate
[CAS# 93485-63-3]

Identification

• Name: Chlormadinone-17-acetate 3beta-hemisuccinate
• Synonyms: 4-[[(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Hydroxy-10,13-Dimethyl-1,2,3,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(3S,8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Hydroxy-10,13-Dimethyl-1,2,3,8,9,11,12
• Molecular Formula: C₂₅H₃₃ClO₆
• Molecular Weight: 464.99
• CAS Registry Number: 93485-63-3
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=C[C@@H](O)CC1)C(=C2)Cl)C)CC[C@@]3([C@](OC(=O)CCC(=O)O)(CC4)C(=O)C)C
• InChI: 1S/C25H33ClO6/c1-14(27)25(32-22(31)5-4-21(29)30)11-8-18-16-13-20(26)19-12-15(28)6-9-23(19,2)17(16)7-10-24(18,25)3/h12-13,15-18,28H,4-11H2,1-3H3,(H,29,30)/t15-,16+,17-,18-,23+,24-,25-/m0/s1
• InChIKey: DLINLUOLQQDIML-HEQZKXBESA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 633.144°C at 760 mmHg (Cal.)
• Flash point: 336.713°C (Cal.)