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N-DECOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE
SpectraBase Compound ID JGHxr0mqSK6
InChI InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(63)59-41(42(62)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-72-56-52(69)50(67)48(65)45(76-56)40-73-57-54(71)51(68)55(44(38-61)75-57)77-58-53(70)49(66)47(64)43(37-60)74-58/h33,35,41-45,47-58,60-62,64-71H,3-32,34,36-40H2,1-2H3,(H,59,63)/b35-33+/t41-,42+,43+,44+,45-,47+,48+,49-,50+,51+,52-,53+,54+,55-,56-,57+,58+/m0/s1
InChIKey KNBVZZHJTKFQKJ-VVRKSMPQSA-N
Mol Weight 1108.5 g/mol
Molecular Formula C58H109NO18
Exact Mass 1107.764466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A270gUlYfc9
Name N-DECOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H109NO18
InChI InChI=1S/C58H109NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(63)59-41(42(62)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-72-56-52(69)50(67)48(65)45(76-56)40-73-57-54(71)51(68)55(44(38-61)75-57)77-58-53(70)49(66)47(64)43(37-60)74-58/h33,35,41-45,47-58,60-62,64-71H,3-32,34,36-40H2,1-2H3,(H,59,63)/b35-33+/t41-,42+,43+,44+,45-,47+,48+,49-,50+,51+,52-,53+,54+,55-,56-,57+,58+/m0/s1
InChIKey KNBVZZHJTKFQKJ-VVRKSMPQSA-N
Literature Reference Author R.TANAKA,N.NODA,K.MIYAHARA
Literature Reference Citation CHEM.PHARM.BULL.,47,1167(1999)
Literature Reference DOI 10.1248/cpb.47.1167
Molecular Weight 1108.499 g/mol
Solvent C5D5N
Source File Reference UWLU8208