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#31;O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-MANNOPYRANOSYL)-(1->4)-O-(2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1->1)-(2S,3S,4R)-3,4-DI-O-BENZOYL-N-TETRACOSANOYLSPHI
SpectraBase Compound ID 8MQHLtbcxSg
InChI InChI=1S/C82H127NO23/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-34-36-38-40-48-54-71(91)83-67(72(105-80(93)66-51-45-42-46-52-66)68(102-79(92)65-49-43-41-44-50-65)53-47-39-37-35-33-23-21-19-17-15-13-11-2)55-96-81-77(100-63(8)89)76(99-62(7)88)74(70(103-81)57-95-59(4)85)106-82-78(101-64(9)90)75(98-61(6)87)73(97-60(5)86)69(104-82)56-94-58(3)84/h41-46,49-52,67-70,72-78,81-82H,10-40,47-48,53-57H2,1-9H3,(H,83,91)/t67-,68-,69-,70-,72-,73-,74-,75+,76+,77-,78+,81-,82+/m0/s1
InChIKey PNIOFHKNBNCBMU-RECUGKMHSA-N
Mol Weight 1494.9 g/mol
Molecular Formula C82H127NO23
Exact Mass 1493.879889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkLbjIBoZDi
Name #31;O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-MANNOPYRANOSYL)-(1->4)-O-(2,3,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-(1->1)-(2S,3S,4R)-3,4-DI-O-BENZOYL-N-TETRACOSANOYLSPHI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H127NO23
InChI InChI=1S/C82H127NO23/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-34-36-38-40-48-54-71(91)83-67(72(105-80(93)66-51-45-42-46-52-66)68(102-79(92)65-49-43-41-44-50-65)53-47-39-37-35-33-23-21-19-17-15-13-11-2)55-96-81-77(100-63(8)89)76(99-62(7)88)74(70(103-81)57-95-59(4)85)106-82-78(101-64(9)90)75(98-61(6)87)73(97-60(5)86)69(104-82)56-94-58(3)84/h41-46,49-52,67-70,72-78,81-82H,10-40,47-48,53-57H2,1-9H3,(H,83,91)/t67-,68-,69-,70-,72-,73-,74-,75+,76+,77-,78+,81-,82+/m0/s1
InChIKey PNIOFHKNBNCBMU-RECUGKMHSA-N
Literature Reference Author K.KOIKE,M.MORI,Y.ITO,Y.NAKAHARA,T.OGAWA
Literature Reference Citation AGR.BIOL.CHEM.,54,2931(1990)
Literature Reference DOI 10.1271/bbb1961.54.2931
Molecular Weight 1494.903 g/mol
Solvent CDCl3
Source File Reference UWBT8031