(17beta)-Estra-1,3,5(10)-Triene-3,17-Diyl Dibenzoate
[CAS# 4147-13-1]

Identification

• Name: (17beta)-Estra-1,3,5(10)-Triene-3,17-Diyl Dibenzoate
• Synonyms: Estra-1,3,5(10)-triene-3,17β-diyl Dibenzoate; Estradiol 3,17-Dibenzoate
• Molecular Formula: C₃₂H₃₂O₄
• Molecular Weight: 480.59
• CAS Registry Number: 4147-13-1
• SMILES: O=C(Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)c3ccccc3)c5cc4)c6ccccc6
• InChI: 1S/C32H32O4/c1-32-19-18-26-25-15-13-24(35-30(33)21-8-4-2-5-9-21)20-23(25)12-14-27(26)28(32)16-17-29(32)36-31(34)22-10-6-3-7-11-22/h2-11,13,15,20,26-29H,12,14,16-19H2,1H3/t26-,27-,28+,29+,32+/m1/s1
• InChIKey: QSEBTTYLHXQXSF-CAHAWPIUSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 609.441°C at 760 mmHg (Cal.)
• Flash point: 305.556°C (Cal.)