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3-[(1R,4aS,5R,6R,8aS)-5-(2,5-dihydroxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester
SpectraBase Compound ID CHJWSinlCJV
InChI InChI=1S/C25H36O5/c1-15-12-18(26)13-17(23(15)29)14-25(4)16(2)10-11-24(3)19(6-9-22(28)30-5)20(27)7-8-21(24)25/h12-13,16,19,21,26,29H,6-11,14H2,1-5H3/t16-,19+,21-,24-,25-/m1/s1
InChIKey UEVJCIDVCOTQFF-WVFQHRASSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcXpbd13nol
Name 3-[(1R,4aS,5R,6R,8aS)-5-(2,5-dihydroxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-15-12-18(26)13-17(23(15)29)14-25(4)16(2)10-11-24(3)19(6-9-22(28)30-5)20(27)7-8-21(24)25/h12-13,16,19,21,26,29H,6-11,14H2,1-5H3/t16-,19+,21-,24-,25-/m1/s1
InChIKey UEVJCIDVCOTQFF-WVFQHRASSA-N
Literature Reference Author E.DORTA,M.CUETO,I.BRITO,J.DARIAS
Literature Reference Citation J.NAT.PROD.,65,1727(2002)
Literature Reference DOI 10.1021/np020090g
Molecular Weight 416.558 g/mol
Solvent CDCl3
Source File Reference UWSI7304