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AVRAINVILLOSIDE;1,2-DIOCTADECANOYL-3-O-(6-DEOXY-6-AMINO-ALPHA-GLUCOPYRANOSYL)-GLYCEROL
SpectraBase Compound ID GLJj6WlcjjX
InChI InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3/t38-,39-,42-,43+,44-,45+/m0/s1
InChIKey KJILUUUMZVFMFK-DZAOLBPNSA-N
Mol Weight 786.2 g/mol
Molecular Formula C45H87NO9
Exact Mass 785.638083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhjKxl97HNT
Name AVRAINVILLOSIDE;1,2-DIOCTADECANOYL-3-O-(6-DEOXY-6-AMINO-ALPHA-GLUCOPYRANOSYL)-GLYCEROL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H87NO9
InChI InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3/t38-,39-,42-,43+,44-,45+/m0/s1
InChIKey KJILUUUMZVFMFK-DZAOLBPNSA-N
Literature Reference Author R.J.ANDERSEN,O.TAGLIALATELA-SCAFATI
Literature Reference Citation J.NAT.PROD.,68,1428(2005)
Literature Reference DOI 10.1021/np050161m
Molecular Weight 786.187 g/mol
Solvent DMSO-D6
Source File Reference UWMZ13172