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(E)-4-hydroxy-4-methyl-pent-2-enoic acid [(1S,2R,4aS,5S,8aR)-2-acetyl-5-hydroxy-4a-methyl-8-methylene-decalin-1-yl] ester

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(E)-4-hydroxy-4-methyl-pent-2-enoic acid [(1S,2R,4aS,5S,8aR)-2-acetyl-5-hydroxy-4a-methyl-8-methylene-decalin-1-yl] ester
SpectraBase Compound ID C2MCpjZWBbu
InChI InChI=1S/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1
InChIKey WZTNCEBBCFHTOP-NQKIYUNRSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eVt1biB66v
Name (E)-4-hydroxy-4-methyl-pent-2-enoic acid [(1S,2R,4aS,5S,8aR)-2-acetyl-5-hydroxy-4a-methyl-8-methylene-decalin-1-yl] ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1
InChIKey WZTNCEBBCFHTOP-NQKIYUNRSA-N
Literature Reference Author S.P.GARZON,A.D.RODRIGUEZ,J.A.SANCHEZ,E.ORTEGA-BARRIA
Literature Reference Citation J.NAT.PROD.,68,1354(2005)
Literature Reference DOI 10.1021/np0501684
Molecular Weight 350.455 g/mol
Solvent CDCl3
Source File Reference UWMZ13388