(3beta)-3,17-Dihydroxy(21,21,21-²H₃)Pregn-5-En-20-One
[CAS# 105078-92-0]

Identification

• Name: (3beta)-3,17-Dihydroxy(21,21,21-²H₃)Pregn-5-En-20-One
• Synonyms: 1-(3-Iodo-propoxy)-4-methoxy-benzene; 17α-Hydroxypregnenolone-d3
• Molecular Formula: C₂₁H₂₉D₃O₃
• Molecular Weight: 335.50
• CAS Registry Number: 105078-92-0
• SMILES: [2H]C([2H])([2H])C(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
• InChI: 1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1/i1D3
• InChIKey: JERGUCIJOXJXHF-DBAXYKBZSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 478.355°C at 760 mmHg (Cal.)
• Flash point: 257.21°C (Cal.)
• Refractive index: 1.568 (Cal.)