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NBXUIJDEFVWGPX-CDWZMZSZSA-N
SpectraBase Compound ID 2OljSQ8V5Ou
InChI InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)41(52)32-28(55-4)20-27(54-3)21-29(32)58-42(33,25-12-14-26(53-2)15-13-25)40(41)57-39-36(49)35(48)34(47)30(22-46)56-39/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40?,41-,42+/m0/s1
InChIKey NBXUIJDEFVWGPX-CDWZMZSZSA-N
Mol Weight 808.9 g/mol
Molecular Formula C42H52N2O14
Exact Mass 808.341854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0UBdMcmmT5
Name NBXUIJDEFVWGPX-CDWZMZSZSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H52N2O14
InChI InChI=1S/C42H52N2O14/c1-23(16-19-45)37(50)43-17-8-9-18-44-38(51)33-31(24-10-6-5-7-11-24)41(52)32-28(55-4)20-27(54-3)21-29(32)58-42(33,25-12-14-26(53-2)15-13-25)40(41)57-39-36(49)35(48)34(47)30(22-46)56-39/h5-7,10-16,20-21,30-31,33-36,39-40,45-49,52H,8-9,17-19,22H2,1-4H3,(H,43,50)(H,44,51)/b23-16+/t30-,31-,33+,34-,35+,36-,39+,40?,41-,42+/m0/s1
InChIKey NBXUIJDEFVWGPX-CDWZMZSZSA-N
Literature Reference Author X.CHAIDIR,W.H.LIN,R.EBEL,R.EDRADA,V.WRAY,M.NIMTZ,W.SUMARYONO ,P.PROKSCH
Literature Reference Citation J.NAT.PROD.,64,1216(2001)
Literature Reference DOI 10.1021/np0102354
Molecular Weight 808.880 g/mol
Solvent CD3OD
Source File Reference UWSI1944