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6-ALPHA-([4'-O-PALMITYL]-7'E-COUMARYLOXY)-EUDESM-4(14)-ENE

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6-ALPHA-([4'-O-PALMITYL]-7'E-COUMARYLOXY)-EUDESM-4(14)-ENE
SpectraBase Compound ID KyMfAT9AKK2
InChI InChI=1S/C40H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36(41)43-34-25-22-33(23-26-34)24-27-37(42)44-39-35(31(2)3)28-30-40(5)29-19-20-32(4)38(39)40/h22-27,31,35,38-39H,4,6-21,28-30H2,1-3,5H3/b27-24+/t35-,38+,39-,40+/m1/s1
InChIKey SGLBMPOZPUNIGG-NTQAJYSHSA-N
Mol Weight 606.9 g/mol
Molecular Formula C40H62O4
Exact Mass 606.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuXuao71610
Name 6-ALPHA-([4'-O-PALMITYL]-7'E-COUMARYLOXY)-EUDESM-4(14)-ENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H62O4
InChI InChI=1S/C40H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36(41)43-34-25-22-33(23-26-34)24-27-37(42)44-39-35(31(2)3)28-30-40(5)29-19-20-32(4)38(39)40/h22-27,31,35,38-39H,4,6-21,28-30H2,1-3,5H3/b27-24+/t35-,38+,39-,40+/m1/s1
InChIKey SGLBMPOZPUNIGG-NTQAJYSHSA-N
Literature Reference Author V.S.P.CHATURVEDULA,A.FAROOQ,J.K.SCHILLING,S.MALONE,I.DERVELD ,M.C.M.WERKHOVEN,J.H
Literature Reference Citation J.NAT.PROD.,67,2053(2004)
Literature Reference DOI 10.1021/np049696q
Molecular Weight 606.930 g/mol
Solvent CDCl3
Source File Reference UWMZ6856