17-Hydroxypregna-4,9(11)-Diene-3,20-Dione 17-Acetate
[CAS# 5106-48-9]

Identification

• Name: 17-Hydroxypregna-4,9(11)-Diene-3,20-Dione 17-Acetate
• Synonyms: Acetic Acid [(8S,10S,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-3-Oxo-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8S,10S,13S,14S,17R)-17-Acetyl-3-Keto-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,10S,13S,14S,17R)-17-Ethanoyl-10,13-Dimethyl-3-Oxo-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₃H₃₀O₄
• Molecular Weight: 370.49
• CAS Registry Number: 5106-48-9
• EINECS: 225-828-1
• SMILES: [C@H]12[C@@]([C@](OC(=O)C)(CC1)C(=O)C)(CC=C3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: 1S/C23H30O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h8,13,18,20H,5-7,9-12H2,1-4H3/t18-,20+,21+,22+,23+/m1/s1
• InChIKey: PMKJTWXWJLVKNH-PMAMDCHESA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 502.804°C at 760 mmHg (Cal.)
• Flash point: 217.78°C (Cal.)