9,11-Dehydrodeoxycorticosterone 21-Acetate
[CAS# 4780-55-6]

Identification

• Name: 9,11-Dehydrodeoxycorticosterone 21-Acetate
• Synonyms: [2-[(8S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-Keto-2-[(8S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester
• Molecular Formula: C₂₃H₃₀O₄
• Molecular Weight: 370.49
• CAS Registry Number: 4780-55-6
• SMILES: [C@H]12[C@H]4C(=CC[C@@]1([C@H](CC2)C(=O)COC(=O)C)C)[C@@]3(C(=CC(=O)CC3)CC4)C
• InChI: 1S/C23H30O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h9,12,17-18,20H,4-8,10-11,13H2,1-3H3/t17-,18-,20+,22-,23-/m0/s1
• InChIKey: RXNMVTIOVLVLKE-CQRJNKKSSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 517.208°C at 760 mmHg (Cal.)
• Flash point: 224.369°C (Cal.)