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3'-ACETYLINDICINE;[1R-[1-ALPHA,7-(2R*,3S*),7-ALPHA-BETA]]-3-ACETOXY-2-HYDROXY-2-(1-METHYLETHYL)-BUTANOIC-ACID-(2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYR
SpectraBase Compound ID 7RlzM9sJpCe
InChI InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17?/m1/s1
InChIKey YFQPDKABPCMKCA-OJBCNAABSA-N
Mol Weight 341.4 g/mol
Molecular Formula C17H27NO6
Exact Mass 341.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SqmINxvi3
Name 3'-ACETYLINDICINE;[1R-[1-ALPHA,7-(2R*,3S*),7-ALPHA-BETA]]-3-ACETOXY-2-HYDROXY-2-(1-METHYLETHYL)-BUTANOIC-ACID-(2,3,5,7A-TETRAHYDRO-1-HYDROXY-1H-PYR
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27NO6
InChI InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)24-12(4)19)16(21)23-9-13-5-7-18-8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17?/m1/s1
InChIKey YFQPDKABPCMKCA-OJBCNAABSA-N
Literature Reference Author K.OGIHARA,Y.MIYAGI,M.HIGA,S.YOGI
Literature Reference Citation PHYTOCHEM.,44,545(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00493-1
Molecular Weight 341.404 g/mol
Solvent CDCl3
Source File Reference UWPA174