Benzo(d,e)estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
[CAS# 77732-98-0]

Identification

• Name: Benzo(d,e)estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
• Synonyms: Benz(4,5,6)Estra-1(10),2,4-Triene-3,17-Diol, 17-Acetate, (17Beta)-; Benzo(D,E)Estra-1,3,5(10)-Triene-3,17Beta-Diol 17-Acetate
• Molecular Formula: C₂₃H₂₆O₃
• Molecular Weight: 350.46
• CAS Registry Number: 77732-98-0
• SMILES: [C@@H]34C1=CC=C(C2=CC=CC(=C12)C[C@H]3[C@H]5[C@](CC4)([C@H](CC5)OC(C)=O)C)O
• InChI: 1S/C23H26O3/c1-13(24)26-21-9-7-19-18-12-14-4-3-5-17-20(25)8-6-16(22(14)17)15(18)10-11-23(19,21)2/h3-6,8,15,18-19,21,25H,7,9-12H2,1-2H3/t15-,18-,19+,21+,23+/m1/s1
• InChIKey: UQMWONXHWZFMFZ-RLFRMEMMSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 518.508°C at 760 mmHg (Cal.)
• Flash point: 210.572°C (Cal.)