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4a-Acetyl-3a-(3-chloro-2-hydroxy-2-methyl-butyryl)-plucheinol

View entire compound with spectra: 1 NMR

4a-Acetyl-3a-(3-chloro-2-hydroxy-2-methyl-butyryl)-plucheinol
SpectraBase Compound ID E5rQc1UD6HX
InChI InChI=1S/C22H33ClO7/c1-12(23)21(6,28)18(26)29-17-8-9-20(5)11-15(25)14(19(3,4)27)10-16(20)22(17,7)30-13(2)24/h10,12,16-17,27-28H,8-9,11H2,1-7H3
InChIKey SOYOKDAJYCGEAL-UHFFFAOYSA-N
Mol Weight 445.0 g/mol
Molecular Formula C22H33ClO7
Exact Mass 444.191481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IVbMzX1RHf
Name 4a-Acetyl-3a-(3-chloro-2-hydroxy-2-methyl-butyryl)-plucheinol
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H33ClO7
InChI InChI=1S/C22H33ClO7/c1-12(23)21(6,28)18(26)29-17-8-9-20(5)11-15(25)14(19(3,4)27)10-16(20)22(17,7)30-13(2)24/h10,12,16-17,27-28H,8-9,11H2,1-7H3
InChIKey SOYOKDAJYCGEAL-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference F.J. Arriaga, J. Borges-Delcastillo, Magn. Res. Chem. 23, 487 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3