17a-Hydroxy progesterone-21-acetate

• Catalog Number: ACM640879
• Product Name: 17a-Hydroxy progesterone-21-acetate
• CAS: 640-87-9
• Category: Steroidal Compounds
• Synonyms: CORTEXOLONE ACETATE; Einecs 211-369-4; Reichstein substance S 21-acetate; 17-Hydroxy-21-acetoxyprogesterone; cortexolone 21-acetate; 11-deoxycortisol 21-acetate; 21-acetoxy-17-hydroxy-pregn-4-ene-3,20-dione; Reichsteins substance S acetate; 17-Hydroxy-21-acetoxy-pregnen-(4)-dion-(3.20); 21-Acetoxy-17a-hydroxyprogesterone; 21-Acetoxy-17-hydroxy-pregn-4-en-3,20-dion; 11-DEOXY-17-HYDROCORTICOSTERONE; 11-deoxycortisone acetate
• IUPAC Name: [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate
• Molecular Weight: 388.5
• Molecular Formula: C₂₃H₃₂O₅
• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
• InChI Key: HPAKILCZTKWIFK-JZTHCNPZSA-N
• Boiling Point: 537.9ºC at 760 mmHg
• Melting Point: 233-235ºC
• Flash Point: 181.8ºC
• Density: 1.2g/cm³
• EC Number: 211-369-4
• Exact Mass: 388.22500

Custom Q&A

What is the molecular formula of 17a-Hydroxy progesterone-21-acetate?

The molecular formula of 17a-Hydroxy progesterone-21-acetate is C23H32O5.

What is the molecular weight of 17a-Hydroxy progesterone-21-acetate?

The molecular weight of 17a-Hydroxy progesterone-21-acetate is 388.5 g/mol.

What is the IUPAC name of 17a-Hydroxy progesterone-21-acetate?

The IUPAC name of 17a-Hydroxy progesterone-21-acetate is [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the InChI of 17a-Hydroxy progesterone-21-acetate?

The InChI of 17a-Hydroxy progesterone-21-acetate is InChI=1S/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+/m1/s1.

What is the InChIKey of 17a-Hydroxy progesterone-21-acetate?

The InChIKey of 17a-Hydroxy progesterone-21-acetate is HPAKILCZTKWIFK-JZTHCNPZSA-N.

What is the canonical SMILES of 17a-Hydroxy progesterone-21-acetate?

The canonical SMILES of 17a-Hydroxy progesterone-21-acetate is CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O.

What is the CAS number of 17a-Hydroxy progesterone-21-acetate?

The CAS number of 17a-Hydroxy progesterone-21-acetate is 640-87-9.

What is the European Community (EC) number of 17a-Hydroxy progesterone-21-acetate?

The European Community (EC) number of 17a-Hydroxy progesterone-21-acetate is 211-369-4.

What is the UNII of 17a-Hydroxy progesterone-21-acetate?

The UNII of 17a-Hydroxy progesterone-21-acetate is WYH4TKR3TF.

What is the XLogP3 value of 17a-Hydroxy progesterone-21-acetate?

The XLogP3 value of 17a-Hydroxy progesterone-21-acetate is 2.5.