Betamethasone-17-Butyrate-21-Propionate
[CAS# 5534-02-1]

Identification

• Name: Betamethasone-17-Butyrate-21-Propionate
• Synonyms: Butanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-[1-Oxo-2-(1-Oxopropoxy)Ethyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-17-(2-Propionyloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Propanoyloxyethanoyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Butanoate
• Molecular Formula: C₂₉H₃₉FO₇
• Molecular Weight: 518.62
• CAS Registry Number: 5534-02-1
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(CC)=O)=O)OC(CCC)=O
• InChI: 1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
• InChIKey: VXOWJCTXWVWLLC-REGDIAEZSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 613.017°C at 760 mmHg (Cal.)
• Flash point: 324.541°C (Cal.)

References

• (1): Xin-Yi Cao, Yuan-Gen Yao, Stuart R. Batten, En Ma, Ye-Yan Qin, Jian Zhang, Rui-Bo Zhang and Jian-Kai Cheng. Unusual parallel entanglement of metal–organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation, CrystEngComm, 2009, 11, 1030.