(11beta,20S)-11,17,20,21-Tetrahydroxy-Pregn-4-En-3-One
[CAS# 1719-79-5]

Identification

• Name: (11beta,20S)-11,17,20,21-Tetrahydroxy-Pregn-4-En-3-One
• Synonyms: Nsc82878
• Molecular Formula: C₂₁H₃₂O₅
• Molecular Weight: 364.48
• CAS Registry Number: 1719-79-5
• SMILES: [C@@]14(C)[C@H]([C@H]3[C@H]([C@H](C1)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC[C@@]4([C@H](CO)O)O
• InChI: 1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: AWWCEQOCFFQUKS-FJWDNACWSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 586.572°C at 760 mmHg (Cal.)
• Flash point: 322.585°C (Cal.)