4-Estren-6beta,17beta-Diol-3-One
[CAS# 4146-29-6]

Identification

• Name: 4-Estren-6beta,17beta-Diol-3-One
• Synonyms: Nsc9718
• Molecular Formula: C₁₈H₂₆O₃
• Molecular Weight: 290.40
• CAS Registry Number: 4146-29-6
• SMILES: [C@H]4([C@@]3([C@H]([C@@H]2C[C@H](C1=CC(CC[C@@H]1[C@H]2CC3)=O)O)CC4)C)O
• InChI: 1S/C18H26O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h8,11-13,15-17,20-21H,2-7,9H2,1H3/t11-,12-,13-,15+,16-,17+,18+/m1/s1
• InChIKey: JBXQPIRHIYLCNL-RYJUIXMKSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 484.257°C at 760 mmHg (Cal.)
• Flash point: 260.775°C (Cal.)