4-Acetamidophenyl (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-Oxoprosta-5,13-Dien-1-Oate
[CAS# 57790-52-0]

Identification

• Name: 4-Acetamidophenyl (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-Oxoprosta-5,13-Dien-1-Oate
• Synonyms: " 9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid, (4-acetylamino)phenyl ester" ; 9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid, (4-acetylamino)phenyl ester; Prostaglandin E2 p-acetamidophenyl ester
• Molecular Formula: C₂₈H₃₉NO₆
• Molecular Weight: 485.61
• CAS Registry Number: 57790-52-0
• SMILES: O[C@@H]2CC(=O)[C@H](C/C=C\CCCC(=O)Oc1ccc(NC(C)=O)cc1)[C@H]2/C=C/[C@@H](O)CCCCC
• InChI: 1S/C28H39NO6/c1-3-4-7-10-22(31)15-18-25-24(26(32)19-27(25)33)11-8-5-6-9-12-28(34)35-23-16-13-21(14-17-23)29-20(2)30/h5,8,13-18,22,24-25,27,31,33H,3-4,6-7,9-12,19H2,1-2H3,(H,29,30)/b8-5-,18-15+/t22-,24+,25+,27+/m0/s1
• InChIKey: CNFZDRIMILJQQC-WLGUUIINSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 676.743°C at 760 mmHg (Cal.)
• Flash point: 363.081°C (Cal.)