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GARRETTILIGNAN_A_TRIACETATE

View entire compound with spectra: 1 NMR

GARRETTILIGNAN_A_TRIACETATE
SpectraBase Compound ID 5RDp9fFq4Ft
InChI InChI=1S/C60H58O13/c1-9-14-41-19-25-47(26-20-41)70-52-32-44(17-12-4)31-51(67-38(6)61)58(52)66-37-50(64)57(65)46-35-55(68-39(7)62)59(69-40(8)63)56(36-46)73-54-34-45(18-13-5)33-53(71-48-27-21-42(15-10-2)22-28-48)60(54)72-49-29-23-43(16-11-3)24-30-49/h9-13,19-36,50,57,64-65H,1-5,14-18,37H2,6-8H3
InChIKey HQQWBLCSRRDZKR-UHFFFAOYSA-N
Mol Weight 987.1 g/mol
Molecular Formula C60H58O13
Exact Mass 986.387742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DopQX9i3Y
Name GARRETTILIGNAN_A_TRIACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H58O13
InChI InChI=1S/C60H58O13/c1-9-14-41-19-25-47(26-20-41)70-52-32-44(17-12-4)31-51(67-38(6)61)58(52)66-37-50(64)57(65)46-35-55(68-39(7)62)59(69-40(8)63)56(36-46)73-54-34-45(18-13-5)33-53(71-48-27-21-42(15-10-2)22-28-48)60(54)72-49-29-23-43(16-11-3)24-30-49/h9-13,19-36,50,57,64-65H,1-5,14-18,37H2,6-8H3
InChIKey HQQWBLCSRRDZKR-UHFFFAOYSA-N
Literature Reference Author W.SCHUEHLY,W.VOITH,H.TEPPNER,O.KUNERT
Literature Reference Citation J.NAT.PROD.,73,1381(2010)
Literature Reference DOI 10.1021/np100263e
Molecular Weight 987.113 g/mol
Sample ID 36214
Solvent CDCl3