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ALTERNAROSIDE_B;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-E)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-9-METHYLHEPTADEC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE

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ALTERNAROSIDE_B;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-E)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-9-METHYLHEPTADEC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE
SpectraBase Compound ID Drcp72HU17c
InChI InChI=1S/C42H77NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-11-9-7-5-2/h25-26,28-30,34-40,42,44-49H,4-24,27,31-32H2,1-3H3,(H,43,50)/b29-26+,30-25+,33-28+/t34-,35+,36+,37-,38-,39+,40-,42-/m0/s1
InChIKey XYCVJZWQEQFSGR-PPRVCIKDSA-N
Mol Weight 740.1 g/mol
Molecular Formula C42H77NO9
Exact Mass 739.559833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEOaWUDbIQs
Name ALTERNAROSIDE_B;(2-R,3-E)-2-HYDROXY-N-[(2-S,3-R,4-E,8-E)-1-BETA-D-GLUCOPYRANOSYLOXY-3-HYDROXY-9-METHYLHEPTADEC-4,8-DIEN-2-YL]-OCTADEAC-3-ENAMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H77NO9
InChI InChI=1S/C42H77NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-11-9-7-5-2/h25-26,28-30,34-40,42,44-49H,4-24,27,31-32H2,1-3H3,(H,43,50)/b29-26+,30-25+,33-28+/t34-,35+,36+,37-,38-,39+,40-,42-/m0/s1
InChIKey XYCVJZWQEQFSGR-PPRVCIKDSA-N
Literature Reference Author W.WANG,Y.WANG,H.TAO,X.PENG,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,72,1695(2009)
Literature Reference DOI 10.1021/np9002299
Molecular Weight 740.075 g/mol
Sample ID 33588
Solvent DMSO-D6