5-alpha,11-beta,17-alpha,21-Tetrahydroxy-6-beta-Methylpregnane-3,20-Dione 21-Acetate
[CAS# 28439-53-4]

Identification

• Name: 5-alpha,11-beta,17-alpha,21-Tetrahydroxy-6-beta-Methylpregnane-3,20-Dione 21-Acetate
• Synonyms: Acetic Acid [2-Oxo-2-[(5S,6R,8S,9S,10R,11S,13S,14S,17R)-5,11,17-Trihydroxy-6,10,13-Trimethyl-3-Oxo-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; Acetic Acid [2-Keto-2-[(5S,6R,8S,9S,10R,11S,13S,14S,17R)-5,11,17-Trihydroxy-3-Keto-6,10,13-Trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ester; [2-Oxo-2-[(5S,6R,8S,9S,10R,11S,13S,14S,17R)-5,11,17-Trihydroxy-6,10,13-Trimethyl-3-Oxo-1,2,4,6,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethyl] Ethanoate
• Molecular Formula: C₂₄H₃₆O₇
• Molecular Weight: 436.54
• CAS Registry Number: 28439-53-4
• EINECS: 249-019-8
• SMILES: [C@@]14([C@@]([C@@H](C[C@@H]2[C@@H]1[C@H](C[C@@]3([C@@](C(COC(=O)C)=O)(CC[C@@H]23)O)C)O)C)(CC(=O)CC4)O)C
• InChI: 1S/C24H36O7/c1-13-9-16-17-6-8-23(29,19(28)12-31-14(2)25)22(17,4)11-18(27)20(16)21(3)7-5-15(26)10-24(13,21)30/h13,16-18,20,27,29-30H,5-12H2,1-4H3/t13-,16+,17+,18+,20-,21-,22+,23+,24+/m1/s1
• InChIKey: SKQZWXHBCDJNNV-OMDNDWLBSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 592.27°C at 760 mmHg (Cal.)
• Flash point: 197.447°C (Cal.)