Icometasone enbutate
[CAS# 103466-73-5]

Identification

• Name: Icometasone enbutate
• Synonyms: [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-Acetoxyacetyl)-9-Chloro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Butanoate; Butanoic Acid [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-Acetoxy-1-Oxoethyl)-9-Chloro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-Acetoxyacetyl)-9-Chloro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₈H₃₇ClO₇
• Molecular Weight: 521.05
• CAS Registry Number: 103466-73-5
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(Cl)[C@H](C3)O)C[C@H]4C)C)(C(COC(C)=O)=O)OC(CCC)=O
• InChI: 1S/C28H37ClO7/c1-6-7-24(34)36-28(23(33)15-35-17(3)30)16(2)12-21-20-9-8-18-13-19(31)10-11-25(18,4)27(20,29)22(32)14-26(21,28)5/h10-11,13,16,20-22,32H,6-9,12,14-15H2,1-5H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1
• InChIKey: OVTRPNSKIPQZEC-NJLPOHDGSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 630.546°C at 760 mmHg (Cal.)
• Flash point: 335.142°C (Cal.)