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N-TETRACOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE
SpectraBase Compound ID FMc6PO9reQd
InChI InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(65)61-43(44(64)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-74-58-54(71)52(69)50(67)47(78-58)42-75-59-56(73)53(70)57(46(40-63)77-59)79-60-55(72)51(68)49(66)45(39-62)76-60/h35,37,43-47,49-60,62-64,66-73H,3-34,36,38-42H2,1-2H3,(H,61,65)/b37-35+/t43-,44+,45-,46+,47-,49-,50+,51+,52+,53+,54-,55-,56+,57-,58-,59+,60-/m0/s1
InChIKey MNHSBFHROOZWEF-OBJKJRBESA-N
Mol Weight 1136.6 g/mol
Molecular Formula C60H113NO18
Exact Mass 1135.795766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J98Z4BMHVyl
Name N-TETRACOSANOYL-1-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-4E-OCTADECASPHINGENINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H113NO18
InChI InChI=1S/C60H113NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-48(65)61-43(44(64)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-74-58-54(71)52(69)50(67)47(78-58)42-75-59-56(73)53(70)57(46(40-63)77-59)79-60-55(72)51(68)49(66)45(39-62)76-60/h35,37,43-47,49-60,62-64,66-73H,3-34,36,38-42H2,1-2H3,(H,61,65)/b37-35+/t43-,44+,45-,46+,47-,49-,50+,51+,52+,53+,54-,55-,56+,57-,58-,59+,60-/m0/s1
InChIKey MNHSBFHROOZWEF-OBJKJRBESA-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 1136.553 g/mol
Solvent C5D5N
Source File Reference UWLU8207