(11alpha,16alpha)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione
[CAS# 78761-59-8]

Identification

• Name: (11alpha,16alpha)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione
• Synonyms: 11α,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.47
• CAS Registry Number: 78761-59-8
• EINECS: 278-982-7
• SMILES: O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@H](O)C[C@@]3([C@@](O)(C(=O)CO)[C@@H](C[C@@H]23)C)C)C
• InChI: 1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1
• InChIKey: WNYLPFCKNQAAMB-JPDWDDBRSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 571.816°C at 760 mmHg (Cal.)
• Flash point: 313.67°C (Cal.)