4-(Benzoylamino)Phenyl (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-Oxoprosta-5,13-Dien-1-Oate
[CAS# 57790-53-1]

Identification

• Name: 4-(Benzoylamino)Phenyl (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-benzoylamino)phenyl ester" ; 9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-1-oic acid, (4-benzoylamino)phenyl ester; Prostaglandin E2 p-benzamidophenyl ester
• Molecular Formula: C₃₃H₄₁NO₆
• Molecular Weight: 547.68
• CAS Registry Number: 57790-53-1
• SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)O)O
• InChI: 1S/C33H41NO6/c1-2-3-7-14-26(35)19-22-29-28(30(36)23-31(29)37)15-10-4-5-11-16-32(38)40-27-20-17-25(18-21-27)34-33(39)24-12-8-6-9-13-24/h4,6,8-10,12-13,17-22,26,28-29,31,35,37H,2-3,5,7,11,14-16,23H2,1H3,(H,34,39)/b10-4-,22-19+/t26-,28+,29+,31+/m0/s1
• InChIKey: PDKOSADNQUKMKP-QFPSZITRSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 646.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 344.8±31.5°C (Cal.)