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5(E)-Prostaglandin-I2 methyl ester

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5(E)-Prostaglandin-I2 methyl ester
SpectraBase Compound ID LS89egILgbd
InChI InChI=1S/C21H34O5/c1-3-4-5-8-15(22)11-12-17-18-13-16(26-20(18)14-19(17)23)9-6-7-10-21(24)25-2/h9,11-12,15,17-20,22-23H,3-8,10,13-14H2,1-2H3/b12-11+,16-9+
InChIKey HEPKWABQTOCTFQ-IQJUDGRZSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRikiPCfvRu
Name 9-Deoxy-6,9a-epoxy.delta./5/-prostaglandin cis-F1A methyl ester
CAS Registry Number 80300-76-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-3-4-5-8-15(22)11-12-17-18-13-16(26-20(18)14-19(17)23)9-6-7-10-21(24)25-2/h9,11-12,15,17-20,22-23H,3-8,10,13-14H2,1-2H3/b12-11+,16-9+
InChIKey HEPKWABQTOCTFQ-IQJUDGRZSA-N
Literature Reference R.A. Johnson, F.H. Lincoln, J.L. Thompson, J. Am. Chem. Soc. 99, 4182 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3