methyl 2-{[(13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino}-3-(4-methoxy-3-nitrophenyl)propanoate

SpectraBase Compound ID	BfDITUumTsE
InChI	InChI=1S/C31H46N2O8/c1-4-5-8-11-24(34)17-15-23-16-18-28(35)25(23)12-9-6-7-10-13-30(36)32-26(31(37)41-3)20-22-14-19-29(40-2)27(21-22)33(38)39/h14-15,17,19,21,23-26,34H,4-13,16,18,20H2,1-3H3,(H,32,36)/b17-15+
InChIKey	QUHKMDJLJIBVDI-BMRADRMJSA-N Google Search
Mol Weight	574.7 g/mol
Molecular Formula	C31H46N2O8
Exact Mass	574.325416 g/mol

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SpectraBase Spectrum ID	HEI2paIrupi
Name	methyl 2-{[(13E,15R)-15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino}-3-(4-methoxy-3-nitrophenyl)propanoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C31H46N2O8/c1-4-5-8-11-24(34)17-15-23-16-18-28(35)25(23)12-9-6-7-10-13-30(36)32-26(31(37)41-3)20-22-14-19-29(40-2)27(21-22)33(38)39/h14-15,17,19,21,23-26,34H,4-13,16,18,20H2,1-3H3,(H,32,36)/b17-15+
InChIKey	QUHKMDJLJIBVDI-BMRADRMJSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17152
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D26777; Labnumber: NCSER-160; SBI_ID: SBI-017155
Synonyms	methyl 2-{[15-hydroxy-1,9-dioxoprost-13-en-1-yl]amino}-3-(4-methoxy-3-nitrophenyl)propanoate
Temperature	306 °C