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AIXYSWQDAPNCOM-XOCARQJCSA-N
SpectraBase Compound ID 9uh5p0ow7M8
InChI InChI=1S/C30H51NO23/c1-8-15(38)18(41)19(42)27(48-8)52-25-21(44)26(47-3)50-13(7-34)22(25)51-28-20(43)24(17(40)12(6-33)49-28)54-30(29(45)46)4-10(36)14(31-9(2)35)23(53-30)16(39)11(37)5-32/h8,10-28,32-34,36-44H,4-7H2,1-3H3,(H,31,35)(H,45,46)/t8-,10-,11+,12-,13-,14+,15+,16+,17+,18+,19-,20-,21-,22-,23+,24+,25-,26-,27-,28+,30-/m0/s1
InChIKey AIXYSWQDAPNCOM-XOCARQJCSA-N
Mol Weight 793.7 g/mol
Molecular Formula C30H51NO23
Exact Mass 793.285187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ee6tC8LvF9F
Name AIXYSWQDAPNCOM-XOCARQJCSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H51NO23
InChI InChI=1S/C30H51NO23/c1-8-15(38)18(41)19(42)27(48-8)52-25-21(44)26(47-3)50-13(7-34)22(25)51-28-20(43)24(17(40)12(6-33)49-28)54-30(29(45)46)4-10(36)14(31-9(2)35)23(53-30)16(39)11(37)5-32/h8,10-28,32-34,36-44H,4-7H2,1-3H3,(H,31,35)(H,45,46)/t8-,10-,11+,12-,13-,14+,15+,16+,17+,18+,19-,20-,21-,22-,23+,24+,25-,26-,27-,28+,30-/m0/s1
InChIKey AIXYSWQDAPNCOM-XOCARQJCSA-N
Literature Reference Author J.M.COTERON,K.SINGH,J.L.ASENSIO,M.DOMINGUEZ-DALDA,A.FERNANDE Z-MAYORALAS,J.JIMENE
Literature Reference Citation J.ORG.CHEM.,60,1502(1995)
Literature Reference DOI 10.1021/jo00111a008
Molecular Weight 793.728 g/mol
Solvent D2O
Source File Reference UWRU3364