21-Hydroxypregn-4-Ene-3,20-Dione 21-(3-Phenylpropionate)
[CAS# 14007-50-2]

Identification

• Name: 21-Hydroxypregn-4-Ene-3,20-Dione 21-(3-Phenylpropionate)
• Synonyms: [2-(10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Oxo-Ethyl] 3-Phenylpropanoate; 3-Phenylpropanoic Acid [2-(10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl)-2-Oxoethyl] Ester; 3-Phenylpropionic Acid [2-Keto-2-(3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl)Ethyl] Ester
• Molecular Formula: C₃₀H₃₈O₄
• Molecular Weight: 462.63
• CAS Registry Number: 14007-50-2
• EINECS: 237-815-8
• SMILES: C1=C(C=CC=C1)CCC(=O)OCC(=O)C5C4(CCC3C2(C(=CC(=O)CC2)CCC3C4CC5)C)C
• InChI: 1S/C30H38O4/c1-29-16-14-22(31)18-21(29)9-10-23-24-11-12-26(30(24,2)17-15-25(23)29)27(32)19-34-28(33)13-8-20-6-4-3-5-7-20/h3-7,18,23-26H,8-17,19H2,1-2H3
• InChIKey: WPQKMAWYKDSBAX-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 601.83°C at 760 mmHg (Cal.)
• Flash point: 254.77°C (Cal.)