3beta,11alpha,17-Trihydroxy-16alpha-Methyl-5alpha-Pregnan-20-One
[CAS# 1635-20-7]

Identification

• Name: 3beta,11alpha,17-Trihydroxy-16alpha-Methyl-5alpha-Pregnan-20-One
• Synonyms: Pregnan-20-One, 3,11,17-Trihydroxy-16-Methyl-, (3Beta,5Alpha,11Alpha,16Alpha)-; 3Beta,11Alpha,17-Trihydroxy-16Alpha-Methyl-5Alpha-Pregnan-20-One
• Molecular Formula: C₂₂H₃₆O₄
• Molecular Weight: 364.52
• CAS Registry Number: 1635-20-7
• EINECS: 216-658-9
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@H](CC1)C[C@H](CC2)O)C)[C@@H](C3)O)C[C@H]([C@@]4(C(=O)C)O)C)C
• InChI: 1S/C22H36O4/c1-12-9-17-16-6-5-14-10-15(24)7-8-20(14,3)19(16)18(25)11-21(17,4)22(12,26)13(2)23/h12,14-19,24-26H,5-11H2,1-4H3/t12-,14+,15+,16+,17+,18-,19-,20+,21+,22+/m1/s1
• InChIKey: OACVNSOUPWYEBL-JZOCASSUSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 509.431°C at 760 mmHg (Cal.)
• Flash point: 275.983°C (Cal.)