17,20,21-Trihydroxy-4-Pregnen-3-One
[CAS# 5786-59-4]

Identification

• Name: 17,20,21-Trihydroxy-4-Pregnen-3-One
• Synonyms: 17,20,21-Thp; 17,20,21-Trihydroxy-4-Pregnen-3-One; 17Alpha,20Beta,21-Trihydroxy-4-Pregnen-3-One
• Molecular Formula: C₂₁H₃₂O₄
• Molecular Weight: 348.48
• CAS Registry Number: 5786-59-4
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](C(CO)O)(O)CC4)C
• InChI: 1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18?,19+,20+,21+/m1/s1
• InChIKey: XNFSGLNHLVHCFT-WMSSUOLPSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 544.424°C at 760 mmHg (Cal.)
• Flash point: 297.122°C (Cal.)