4-Oxo-4-{[17-Oxoestra-1,3,5(10)-Trien-3-Yl]Oxy}Butanoic Acid
[CAS# 58534-72-8]

Identification

• Name: 4-Oxo-4-{[17-Oxoestra-1,3,5(10)-Trien-3-Yl]Oxy}Butanoic Acid
• Synonyms: 3-[((1S,11S,15S,10R)-15-methyl-14-oxotetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-2,4,6-trien-5-yl)oxycarbonyl]propanoic acid; Estrone 3-hemisuccinate; ESTRONE3-HEMISUCCINATE
• Molecular Formula: C₂₂H₂₆O₅
• Molecular Weight: 370.44
• CAS Registry Number: 58534-72-8
• SMILES: O=C(O)CCC(=O)Oc1cc4c(cc1)[C@H]3CC[C@@]2(C(=O)CC[C@H]2[C@@H]3CC4)C
• InChI: 1S/C22H26O5/c1-22-11-10-16-15-5-3-14(27-21(26)9-8-20(24)25)12-13(15)2-4-17(16)18(22)6-7-19(22)23/h3,5,12,16-18H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,22+/m1/s1
• InChIKey: VSHNBNRUBKFQCR-QLDGJZPUSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 571.426°C at 760 mmHg (Cal.)
• Flash point: 200.207°C (Cal.)

Safety Data

• Safety Description: IRRITANT