4-Pregnene-3-alpha,20-alpha-Diol
[CAS# 15780-16-2]

Identification

• Name: 4-Pregnene-3-alpha,20-alpha-Diol
• Synonyms: (3Alpha,20S)-Pregn-4-Ene-3,20-Diol; 4-Pregnene-3,20-Diol; 4-Pregnene-3Alpha,20Alpha-Diol
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.50
• CAS Registry Number: 15780-16-2
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=C[C@H](O)CC1)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](O)C)C
• InChI: 1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,15-19,22-23H,4-11H2,1-3H3/t13-,15+,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: IBMZAHKIAAJREF-MZQZJKNOSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 449.492°C at 760 mmHg (Cal.)
• Flash point: 199.507°C (Cal.)