5-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-5-oxocyclopentyl}pentanoic acid
[CAS# 7046-40-4]

Identification

• Name: 5-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-5-oxocyclopentyl}pentanoic acid
• Synonyms: "2,3-dinor Prostaglandin E1"; " 9-oxo-11α,15S-dihydroxy-2,3-dinor-prost-13E-en-1-oic acid"
• Molecular Formula: C₁₈H₃₀O₅
• Molecular Weight: 326.43
• CAS Registry Number: 7046-40-4
• SMILES: O=C1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1CCCCC(=O)O
• InChI: 1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14+,15+,17+/m0/s1
• InChIKey: GTUGBRJEKVKOKQ-LRSAKWJDSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 508.567°C at 760 mmHg (Cal.)
• Flash point: 275.461°C (Cal.)