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3-[(1S,4aR,5S,6S,8aR)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester

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3-[(1S,4aR,5S,6S,8aR)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester
SpectraBase Compound ID LLHE5WVKiSm
InChI InChI=1S/C26H38O5/c1-16-13-19(30-5)14-18(24(16)29)15-26(4)17(2)11-12-25(3)20(7-10-23(28)31-6)21(27)8-9-22(25)26/h13-14,17,20,22,29H,7-12,15H2,1-6H3/t17-,20+,22-,25-,26-/m0/s1
InChIKey FETYDOGBYTVNQP-HKDOKKGSSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H38O5
Exact Mass 430.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YC1vhaRoa5
Name 3-[(1S,4aR,5S,6S,8aR)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-keto-5,6,8a-trimethyl-decalin-1-yl]propionic acid methyl ester
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O5
InChI InChI=1S/C26H38O5/c1-16-13-19(30-5)14-18(24(16)29)15-26(4)17(2)11-12-25(3)20(7-10-23(28)31-6)21(27)8-9-22(25)26/h13-14,17,20,22,29H,7-12,15H2,1-6H3/t17-,20+,22-,25-,26-/m0/s1
InChIKey FETYDOGBYTVNQP-HKDOKKGSSA-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 430.585 g/mol
Solvent CDCl3
Source File Reference UWSI7303