Biotinylestrone
[CAS# 81352-82-1]

Identification

• Name: Biotinylestrone
• Synonyms: 5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoic Acid (13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl) Ester; 5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Valeric Acid (17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl) Ester; Estra-1,3,5(10)-Trien-17-One, 3-((5-(Hexahydro-2-Oxo-1H-Thieno(3,4-D)Imidazol-4-Yl)-1-Oxopentyl)Oxy)-, (3(3As,4S,6Ar))-
• Molecular Formula: C₂₈H₃₆N₂O₄S
• Molecular Weight: 496.66
• CAS Registry Number: 81352-82-1
• SMILES: C1=C(C=C4C(=C1)C3C(C2C(C(CC2)=O)(CC3)C)CC4)OC(CCCCC6C5NC(NC5CS6)=O)=O
• InChI: 1S/C28H36N2O4S/c1-28-13-12-19-18-9-7-17(14-16(18)6-8-20(19)21(28)10-11-24(28)31)34-25(32)5-3-2-4-23-26-22(15-35-23)29-27(33)30-26/h7,9,14,19-23,26H,2-6,8,10-13,15H2,1H3,(H2,29,30,33)
• InChIKey: WRCYWDZGUPLALM-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 727.701°C at 760 mmHg (Cal.)
• Flash point: 393.899°C (Cal.)