16,16-Dimethyprostaglandin E2 4-Benzaldehyde Semicarbazone Ester
[CAS# 62845-71-0]

Identification

• Name: 16,16-Dimethyprostaglandin E2 4-Benzaldehyde Semicarbazone Ester
• Synonyms: [4-[(E)-(Carbamoylhydrazono)Methyl]Phenyl] (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Oxo-Cyclopentyl]Hept-5-Enoate; (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyloct-1-Enyl]-5-Oxocyclopentyl]Hept-5-Enoic Acid [4-[(E)-(Carbamoylhydrazono)Methyl]Phenyl] Ester; (Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3R)-3-Hydroxy-4,4-Dimethyl-Oct-1-Enyl]-5-Keto-Cyclopentyl]Hept-5-Enoic Acid [4-[(E)-Semicarbazonomethyl]Phenyl] Ester
• Molecular Formula: C₃₀H₄₃N₃O₆
• Molecular Weight: 541.69
• CAS Registry Number: 62845-71-0
• SMILES: [C@H]1([C@H](C(=O)C[C@H]1O)C\C=C/CCCC(OC2=CC=C(C=C2)/C=N/NC(=O)N)=O)\C=C\[C@@H](O)C(CCCC)(C)C
• InChI: 1S/C30H43N3O6/c1-4-5-18-30(2,3)27(36)17-16-24-23(25(34)19-26(24)35)10-8-6-7-9-11-28(37)39-22-14-12-21(13-15-22)20-32-33-29(31)38/h6,8,12-17,20,23-24,26-27,35-36H,4-5,7,9-11,18-19H2,1-3H3,(H3,31,33,38)/b8-6-,17-16+,32-20+/t23-,24-,26-,27-/m1/s1
• InChIKey: PKMLAURFVOXJGV-UCVYYBDESA-N

Properties

• Density: 1.179g/cm³ (Cal.)