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6(R)-(4E)-Isoprostacyclin

View entire compound with spectra: 2 NMR

6(R)-(4E)-Isoprostacyclin
SpectraBase Compound ID 2YRBv50hp48
InChI InChI=1S/C21H34O5/c1-3-4-5-8-16(22)12-11-15-13-19(23)21-18(15)14-17(26-21)9-6-7-10-20(24)25-2/h6,9,11-12,15-19,21-23H,3-5,7-8,10,13-14H2,1-2H3/b9-6+,12-11+
InChIKey OTEAZJIFTHHQMW-SQXBUMSNSA-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 IidwvPw5veY
Name 6(S)-(4E)-Isoprostacyclin
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-3-4-5-8-16(22)12-11-15-13-19(23)21-18(15)14-17(26-21)9-6-7-10-20(24)25-2/h6,9,11-12,15-19,21-23H,3-5,7-8,10,13-14H2,1-2H3/b9-6+,12-11+
InChIKey OTEAZJIFTHHQMW-SQXBUMSNSA-N
Instrument Name Jeol FX-60
Literature Reference K.C. Nicolaou, W.E. Barnette, R. Mangolda, J. Am. Chem. Soc. 103, 3481 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3