17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate
[CAS# 910-99-6]

Identification

• Name: 17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate
• Synonyms: [2-[(8S,10S,13S,14S,16S,17R)-17-Hydroxy-10,13,16-Trimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(8S,10S,13S,14S,16S,17R)-17-Hydroxy-10,13,16-Trimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cy
• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50
• CAS Registry Number: 910-99-6
• EINECS: 213-007-0
• SMILES: [C@]14([C@H]([C@H]3C(=CC1)[C@@]2(C(=CC(C=C2)=O)CC3)C)C[C@@H]([C@@]4(C(COC(=O)C)=O)O)C)C
• InChI: 1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14-,18+,20-,22-,23-,24-/m0/s1
• InChIKey: AAPZMQVULRVUEU-NZDAKWCRSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 560.014°C at 760 mmHg (Cal.)
• Flash point: 189.623°C (Cal.)