11beta-Hydroxy-D-Homopregna-1,4-Diene-3,20-Dione 17alpha-Butyrate
[CAS# 66877-67-6]

Identification

• Name: 11beta-Hydroxy-D-Homopregna-1,4-Diene-3,20-Dione 17alpha-Butyrate
• Synonyms: Butanoic Acid [(1R,4As,4Bs,10Ar,10Bs,11S,12As)-1-Acetyl-11-Hydroxy-10A,12A-Dimethyl-8-Oxo-2,3,4,4A,4B,5,6,10B,11,12-Decahydrochrysen-1-Yl] Ester; Butyric Acid [(1R,4As,4Bs,10Ar,10Bs,11S,12As)-1-Acetyl-11-Hydroxy-8-Keto-10A,12A-Dimethyl-2,3,4,4A,4B,5,6,10B,11,12-Decahydrochrysen-1-Yl] Ester; [(1R,4As,4Bs,10Ar,10Bs,11S,12As)-1-Ethanoyl-11-Hydroxy-10A,12A-Dimethyl-8-Oxo-2,3,4,4A,4B,5,6,10B,11,12-Decahydrochrysen-1-Yl] Butanoate
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.57
• CAS Registry Number: 66877-67-6
• EINECS: 266-506-0
• SMILES: [C@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@H](C3)O)CCC4)C)(OC(CCC)=O)C(C)=O
• InChI: 1S/C26H36O5/c1-5-7-22(30)31-26(16(2)27)12-6-8-20-19-10-9-17-14-18(28)11-13-24(17,3)23(19)21(29)15-25(20,26)4/h11,13-14,19-21,23,29H,5-10,12,15H2,1-4H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1
• InChIKey: IYBYNRHXGXDDDS-VRRJBYJJSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 562.988°C at 760 mmHg (Cal.)
• Flash point: 184.224°C (Cal.)