Butixocort 21-Propionate
[CAS# 98449-05-9]

Identification

• Name: Butixocort 21-Propionate
• Synonyms: Butanoic Acid [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-10,13-Dimethyl-3-Oxo-17-[1-Oxo-2-(1-Oxopropylthio)Ethyl]-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-3-Keto-10,13-Di
• Molecular Formula: C₂₈H₄₀O₆S
• Molecular Weight: 504.68
• CAS Registry Number: 98449-05-9
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(CSC(CC)=O)=O)OC(CCC)=O
• InChI: 1S/C28H40O6S/c1-5-7-23(32)34-28(22(31)16-35-24(33)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1
• InChIKey: CDKNUFNIFGPFSF-AYVLZSQQSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 620.783°C at 760 mmHg (Cal.)
• Flash point: 329.238°C (Cal.)