(16beta,17beta)-16-Ethylestra-1,3,5(10)-triene-3,17-diol
[CAS# 62633-99-2]

Identification

• Name: (16beta,17beta)-16-Ethylestra-1,3,5(10)-triene-3,17-diol
• Synonyms: (16Beta,17Beta)-16-Ethylestra-1,3,5(10)-Triene-3,17-Diol; 16Beta-Ethylestradiol-17Beta
• Molecular Formula: C₂₀H₂₈O₂
• Molecular Weight: 300.44
• CAS Registry Number: 62633-99-2
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H]([C@H](C4)CC)O)C)O
• InChI: 1S/C20H28O2/c1-3-12-11-18-17-6-4-13-10-14(21)5-7-15(13)16(17)8-9-20(18,2)19(12)22/h5,7,10,12,16-19,21-22H,3-4,6,8-9,11H2,1-2H3/t12-,16+,17+,18-,19-,20-/m0/s1
• InChIKey: RSPINGMAWKOXBT-BZGHQHJYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 461.476°C at 760 mmHg (Cal.)
• Flash point: 211.438°C (Cal.)