5alpha-Chloro-16-methylene-3beta,6beta,17alpha-trihydroxypregnan-20-one-3,17-diacetate
[CAS# 118201-17-5]

Identification

• Name: 5alpha-Chloro-16-methylene-3beta,6beta,17alpha-trihydroxypregnan-20-one-3,17-diacetate
• Synonyms: [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-3-Acetoxy-17-Acetyl-5-Chloro-6-Hydroxy-10,13-Dimethyl-16-Methylene-1,2,3,4,6,7,8,9,11,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-3-Acetoxy-17-Acetyl-5-Chloro-6-Hydroxy-10,13-Dimethyl-16-Methylene-1,2,3,4,6,7,8,9,11,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-3-Acetyloxy-5-Chloro-17-Ethanoyl-6-Hydroxy-10,13-Dimethyl-16-Methylidene-1,2,3,4,6,7,8,9,11,12,14,15-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₆H₃₇ClO₆
• Molecular Weight: 481.03
• CAS Registry Number: 118201-17-5
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2([C@@](Cl)([C@H](O)C1)C[C@@H](OC(=O)C)CC2)C)CC[C@@]3([C@](OC(=O)C)(C(C4)=C)C(=O)C)C
• InChI: 1S/C26H37ClO6/c1-14-11-21-19-12-22(31)25(27)13-18(32-16(3)29)7-9-23(25,5)20(19)8-10-24(21,6)26(14,15(2)28)33-17(4)30/h18-22,31H,1,7-13H2,2-6H3/t18-,19+,20-,21-,22+,23+,24-,25-,26-/m0/s1
• InChIKey: XKNHSIXSQAVVRC-ILYJYDSDSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 555.969°C at 760 mmHg (Cal.)
• Flash point: 290.04°C (Cal.)