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AS-1-5;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-4-OCTADECENE-1,3-DIOL
SpectraBase Compound ID BxXhyyrvHHF
InChI InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1
InChIKey FMRHRMJAYYLKAI-WZIWEVACSA-N
Mol Weight 716.1 g/mol
Molecular Formula C40H77NO9
Exact Mass 715.559833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1y6Ed4wa58G
Name AS-1-5;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-4-OCTADECENE-1,3-DIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H77NO9
InChI InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1
InChIKey FMRHRMJAYYLKAI-WZIWEVACSA-N
Literature Reference Author M.INAGAKI,Y.HARADA,K.YAMADA,R.ISOBE,R.HIGUCHI,H.MATSUURA,Y.I TAKURA
Literature Reference Citation CHEM.PHARM.BULL.,46,1153(1998)
Literature Reference DOI 10.1248/cpb.46.1153
Molecular Weight 716.053 g/mol
Solvent C5D5N
Source File Reference UWMS6585