21-Hydroxypregn-4-Ene-3,20-Dione 21-Heptanoate
[CAS# 1420-68-4]

Identification

• Name: 21-Hydroxypregn-4-Ene-3,20-Dione 21-Heptanoate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17S)-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] Heptanoate; Heptanoic Acid [2-[(8S,9S,10R,13S,14S,17S)-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; Enanthic Acid [2-Keto-2-[(8S,9S,10R,13S,14S,17S)-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: C₂₈H₄₂O₄
• Molecular Weight: 442.64
• CAS Registry Number: 1420-68-4
• EINECS: 215-820-6
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)COC(=O)CCCCCC)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C28H42O4/c1-4-5-6-7-8-26(31)32-18-25(30)24-12-11-22-21-10-9-19-17-20(29)13-15-27(19,2)23(21)14-16-28(22,24)3/h17,21-24H,4-16,18H2,1-3H3/t21-,22-,23-,24+,27-,28-/m0/s1
• InChIKey: UNGDDFDVVHFRQA-FTIQDDARSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 559.616°C at 760 mmHg (Cal.)
• Flash point: 236.675°C (Cal.)