(7beta)-7-Hydroxypregn-4-Ene-3,20-Dione
[CAS# 600-81-7]

Identification

• Name: (7beta)-7-Hydroxypregn-4-Ene-3,20-Dione
• Synonyms: 4-Pregnen-7β-ol-3,20-dione
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.46
• CAS Registry Number: 600-81-7
• SMILES: CC(=O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C\C1=C\C(=O)CC[C@]1(C)[C@H]4CC[C@]23C
• InChI: 1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18+,19+,20+,21-/m1/s1
• InChIKey: QRDYCDIUGUAUBZ-IFBUNOGVSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 489.056°C at 760 mmHg (Cal.)
• Flash point: 263.674°C (Cal.)