17beta-Hydroxyestr-4-En-3-One 4-Methylbicyclo[2.2.2]Oct-2-Ene-1-Carboxylate
[CAS# 22263-51-0]

Identification

• Name: 17beta-Hydroxyestr-4-En-3-One 4-Methylbicyclo[2.2.2]Oct-2-Ene-1-Carboxylate
• Synonyms: 4-Methyl-1-Bicyclo[2.2.2]Oct-2-Enecarboxylic Acid [(8R,9S,10R,13S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; 4-Methylbicyclo[2.2.2]Oct-2-Ene-1-Carboxylic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; D05116
• Molecular Formula: C₂₈H₃₈O₃
• Molecular Weight: 422.61
• CAS Registry Number: 22263-51-0
• SMILES: [C@H]46[C@H]3[C@@]([C@@H](OC(C12CCC(C)(CC1)C=C2)=O)CC3)(CC[C@@H]4[C@@H]5C(=CC(=O)CC5)CC6)C
• InChI: 1S/C28H38O3/c1-26-11-14-28(15-12-26,16-13-26)25(30)31-24-8-7-23-22-5-3-18-17-19(29)4-6-20(18)21(22)9-10-27(23,24)2/h11,14,17,20-24H,3-10,12-13,15-16H2,1-2H3/t20-,21+,22+,23-,24-,26?,27-,28?/m0/s1
• InChIKey: REACBNMPQDINOF-YBBIQVIJSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 534.798°C at 760 mmHg (Cal.)
• Flash point: 228.074°C (Cal.)