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Methyl 9-oxo-11a,15a,19-trihydroxy-13-trans-prostenoate
SpectraBase Compound ID GVPYRBzGgox
InChI InChI=1S/C21H36O6/c1-15(22)8-7-9-16(23)12-13-18-17(19(24)14-20(18)25)10-5-3-4-6-11-21(26)27-2/h12-13,15-18,20,22-23,25H,3-11,14H2,1-2H3/b13-12+
InChIKey TVIRFASMEDWZOY-OUKQBFOZSA-N
Mol Weight 384.5 g/mol
Molecular Formula C21H36O6
Exact Mass 384.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jrv0UMce8E
Name Methyl 9-oxo-11a,15a,19-trihydroxy-13-trans-prostenoate
CAS Registry Number 76260-39-4
Comments DIASTEREOMER 2 MIXTURE OF DIASTEREOMERS WITH DIFFERENT CONFIGURATION AT C-19
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H36O6
InChI InChI=1S/C21H36O6/c1-15(22)8-7-9-16(23)12-13-18-17(19(24)14-20(18)25)10-5-3-4-6-11-21(26)27-2/h12-13,15-18,20,22-23,25H,3-11,14H2,1-2H3/b13-12+
InChIKey TVIRFASMEDWZOY-OUKQBFOZSA-N
Instrument Name Bruker WH-90
Literature Reference C. Luethy, P. Konstantin, G. Untch, J. Am. Chem. Soc. 100, 6211 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3