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LANCEOLITOL_A1_PERACETATE

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LANCEOLITOL_A1_PERACETATE
SpectraBase Compound ID JsyXWFFW5uh
InChI InChI=1S/C37H56O18/c1-9-10-11-12-13-14-15-16-17-18-28(45)54-34-32(51-24(6)42)30(49-22(4)40)31(50-23(5)41)33(52-25(7)43)35(34)55-37-36(53-26(8)44)29(48-21(3)39)27(19-46-37)47-20(2)38/h27,29-37H,9-19H2,1-8H3/t27-,29+,30-,31-,32+,33+,34+,35-,36-,37+/m0/s1
InChIKey PTLJMPCGYYKKEB-DZUCIXPPSA-N
Mol Weight 788.8 g/mol
Molecular Formula C37H56O18
Exact Mass 788.346665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48Vxsmynumc
Name LANCEOLITOL_A1_PERACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56O18
InChI InChI=1S/C37H56O18/c1-9-10-11-12-13-14-15-16-17-18-28(45)54-34-32(51-24(6)42)30(49-22(4)40)31(50-23(5)41)33(52-25(7)43)35(34)55-37-36(53-26(8)44)29(48-21(3)39)27(19-46-37)47-20(2)38/h27,29-37H,9-19H2,1-8H3/t27-,29+,30-,31-,32+,33+,34+,35-,36-,37+/m0/s1
InChIKey PTLJMPCGYYKKEB-DZUCIXPPSA-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 788.841 g/mol
Solvent CDCl3
Source File Reference UWMZ13319