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LANCEOLITOL_B1_PERACETATE

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LANCEOLITOL_B1_PERACETATE
SpectraBase Compound ID 2aGL4PX93YK
InChI InChI=1S/C40H60O20/c1-10-11-12-13-14-15-16-17-18-19-30(49)59-37-35(55-26(7)46)33(53-24(5)44)34(54-25(6)45)36(56-27(8)47)38(37)60-40-39(57-28(9)48)32(52-23(4)43)31(51-22(3)42)29(58-40)20-50-21(2)41/h29,31-40H,10-20H2,1-9H3/t29-,31-,32+,33-,34-,35+,36+,37+,38-,39-,40+/m0/s1
InChIKey LTUVOLHVHAXKJF-BLGVHONSSA-N
Mol Weight 860.9 g/mol
Molecular Formula C40H60O20
Exact Mass 860.367794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WHhTzTn58x
Name LANCEOLITOL_B1_PERACETATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O20
InChI InChI=1S/C40H60O20/c1-10-11-12-13-14-15-16-17-18-19-30(49)59-37-35(55-26(7)46)33(53-24(5)44)34(54-25(6)45)36(56-27(8)47)38(37)60-40-39(57-28(9)48)32(52-23(4)43)31(51-22(3)42)29(58-40)20-50-21(2)41/h29,31-40H,10-20H2,1-9H3/t29-,31-,32+,33-,34-,35+,36+,37+,38-,39-,40+/m0/s1
InChIKey LTUVOLHVHAXKJF-BLGVHONSSA-N
Literature Reference Author Y.HERRERA-SALGADO,M.L.GARDUNO-RAMIREZ,L.VAZQUEZ,M.Y.RIOS,L.A LVAREZ
Literature Reference Citation J.NAT.PROD.,68,1031(2005)
Literature Reference DOI 10.1021/np050054s
Molecular Weight 860.904 g/mol
Solvent CDCl3
Source File Reference UWMZ13321