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3'-ACETYLINDICINE-N-OXIDE;[1R-[1-ALPHA,7-(2R*,3S*),7-ALPHA-BETA]]-3-ACETOXY-2-HYDROXY-2-(1-METHYLETHYL)-BUTANOIC-ACID-(2,3,5,7A-TETRAHYDRO-1-HYDROX
SpectraBase Compound ID CgXmoWL4OK8
InChI InChI=1S/C17H27NO7/c1-10(2)17(22,11(3)25-12(4)19)16(21)24-9-13-5-7-18(23)8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17?,18?/m1/s1
InChIKey PDTXPVYQALLBPN-SZOMVLEASA-N
Mol Weight 357.4 g/mol
Molecular Formula C17H27NO7
Exact Mass 357.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJivF0sCCbO
Name 3'-ACETYLINDICINE-N-OXIDE;[1R-[1-ALPHA,7-(2R*,3S*),7-ALPHA-BETA]]-3-ACETOXY-2-HYDROXY-2-(1-METHYLETHYL)-BUTANOIC-ACID-(2,3,5,7A-TETRAHYDRO-1-HYDROX
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H27NO7
InChI InChI=1S/C17H27NO7/c1-10(2)17(22,11(3)25-12(4)19)16(21)24-9-13-5-7-18(23)8-6-14(20)15(13)18/h5,10-11,14-15,20,22H,6-9H2,1-4H3/t11-,14+,15+,17?,18?/m1/s1
InChIKey PDTXPVYQALLBPN-SZOMVLEASA-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 357.404 g/mol
Solvent CDCl3
Source File Reference UWPA176