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ISOCRYPTOPORIC-ACID-H;3-CARBOXY-2-(2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID

View entire compound with spectra: 1 NMR

ISOCRYPTOPORIC-ACID-H;3-CARBOXY-2-(2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID
SpectraBase Compound ID 95jY2vq7pzX
InChI InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h6,13-15,17H,5,7-11H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14+,15?,17+,21-/m1/s1
InChIKey PGTQRMPLONEWBV-GODCEGTOSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H32O7
Exact Mass 396.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MTXXwNGAEl
Name ISOCRYPTOPORIC-ACID-H;3-CARBOXY-2-(2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O7
InChI InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h6,13-15,17H,5,7-11H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14+,15?,17+,21-/m1/s1
InChIKey PGTQRMPLONEWBV-GODCEGTOSA-N
Literature Reference Author G.M.CABRERA,M.J.ROBERTI,J.E.WRIGHT,A.M.SELDES
Literature Reference Citation PHYTOCHEM.,61,189(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00221-2
Molecular Weight 396.481 g/mol
Solvent CDCl3:CD3OD=1:5
Source File Reference UWLU29334