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1,2,2''',3'''-TETRAACYL-6'''-SULFO-ALPHA-QUINOVOPYRANOSYLGLYCEROL;(2-S)-1-LINOLEOYL-2,2''',3'''-TRIPALMITOYL-3-O-ALPHA-D-6'''-SULFOQUINOVOPYRANOSYL
SpectraBase Compound ID B1yRtVmMjln
InChI InChI=1S/C75H138O14S.Na/c1-5-9-13-17-21-25-29-33-34-38-39-43-47-51-55-59-68(76)84-63-66(86-69(77)60-56-52-48-44-40-35-30-26-22-18-14-10-6-2)64-85-75-74(89-71(79)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)73(72(80)67(87-75)65-90(81,82)83)88-70(78)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3;/h21,25,33-34,66-67,72-75,80H,5-20,22-24,26-32,35-65H2,1-4H3,(H,81,82,83);/q;+1/p-1/b25-21+,34-33+;/t66-,67-,72-,73+,74-,75+;/m0./s1
InChIKey DRXYKJWWVVXYMT-GUAPWMAXSA-M
Mol Weight 1318.0 g/mol
Molecular Formula C75H137NaO14S
Exact Mass 1316.962675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5JR4m0GIOr
Name 1,2,2''',3'''-TETRAACYL-6'''-SULFO-ALPHA-QUINOVOPYRANOSYLGLYCEROL;(2-S)-1-LINOLEOYL-2,2''',3'''-TRIPALMITOYL-3-O-ALPHA-D-6'''-SULFOQUINOVOPYRANOSYL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H137NaO14S
InChI InChI=1S/C75H138O14S.Na/c1-5-9-13-17-21-25-29-33-34-38-39-43-47-51-55-59-68(76)84-63-66(86-69(77)60-56-52-48-44-40-35-30-26-22-18-14-10-6-2)64-85-75-74(89-71(79)62-58-54-50-46-42-37-32-28-24-20-16-12-8-4)73(72(80)67(87-75)65-90(81,82)83)88-70(78)61-57-53-49-45-41-36-31-27-23-19-15-11-7-3;/h21,25,33-34,66-67,72-75,80H,5-20,22-24,26-32,35-65H2,1-4H3,(H,81,82,83);/q;+1/p-1/b25-21+,34-33+;/t66-,67-,72-,73+,74-,75+;/m0./s1
InChIKey DRXYKJWWVVXYMT-GUAPWMAXSA-M
Literature Reference Author V.RESHEF,E.MIZRACHI,T.MARETZKI,C.SILBERSTEIN,S.LOYA,A.HIZI,S .CARMELI
Literature Reference Citation J.NAT.PROD.,60,1251(1997)
Literature Reference DOI 10.1021/np970327m
Molecular Weight 1317.954 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWRU339