(1alpha,5beta,10xi,17beta)-17-Acetoxy-17-ethynylestr-2-en-1-yl 3-cyclopentylpropanoate
[CAS# 99112-29-5]

Identification

• Name: (1alpha,5beta,10xi,17beta)-17-Acetoxy-17-ethynylestr-2-en-1-yl 3-cyclopentylpropanoate
• Synonyms: Neacpp; Norethisterone acetate 3-cyclopentylpropionate
• Molecular Formula: C₃₀H₄₂O₄
• Molecular Weight: 466.65
• CAS Registry Number: 99112-29-5
• SMILES: O=C(O[C@H]2\C=C/C[C@H]1CC[C@@H]3[C@@H](C12)CC[C@]4([C@H]3CC[C@]4(C#C)OC(=O)C)C)CCC5CCCC5
• InChI: 1S/C30H42O4/c1-4-30(34-20(2)31)19-17-25-23-14-13-22-10-7-11-26(28(22)24(23)16-18-29(25,30)3)33-27(32)15-12-21-8-5-6-9-21/h1,7,11,21-26,28H,5-6,8-10,12-19H2,2-3H3/t22-,23+,24-,25-,26-,28?,29-,30-/m0/s1
• InChIKey: UKRBBAYWDWAZQF-RYSPWXMHSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 534.224°C at 760 mmHg (Cal.)
• Flash point: 257.447°C (Cal.)