5-Pregnen-3-beta,16-alpha-Diol-20-One
[CAS# 520-88-7]

Identification

• Name: 5-Pregnen-3-beta,16-alpha-Diol-20-One
• Synonyms: (3Beta,16Alpha)-3,16-Dihydroxypregn-5-En-20-One; 16Alpha-Hydroxypregnenolone; Chebi:771
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 520-88-7
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)C(=CC2)C[C@H](CC3)O)C[C@H]([C@@H]4C(C)=O)O
• InChI: 1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
• InChIKey: ZAKJZPQDUPCXSD-YRWKUUEZSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 482.773°C at 760 mmHg (Cal.)
• Flash point: 259.878°C (Cal.)