Doxaprost
[CAS# 51953-95-8]

Identification

• Name: Doxaprost
• Synonyms: 7-[(1R)-2-[(E)-3-Hydroxy-3-Methyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Heptanoic Acid; 7-[(1R)-2-[(E)-3-Hydroxy-3-Methyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Enanthic Acid; (13E)-15-Hydroxy-15-Methyl-9-Oxo-13-Prostensaeure
• Molecular Formula: C₂₁H₃₆O₄
• Molecular Weight: 352.51
• CAS Registry Number: 51953-95-8
• SMILES: [C@H]1(C(CCC1=O)\C=C\C(CCCCC)(C)O)CCCCCCC(O)=O
• InChI: 1S/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17?,18-,21?/m1/s1
• InChIKey: KTEHTTNELUAQFC-UHFSOAMOSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 515.887°C at 760 mmHg (Cal.)
• Flash point: 279.883°C (Cal.)