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GARRETTILIGNAN_A

View entire compound with spectra: 1 NMR

GARRETTILIGNAN_A
SpectraBase Compound ID AUa6dqtQ1FB
InChI InChI=1S/C54H52O10/c1-6-11-35-16-22-41(23-17-35)61-48-29-38(14-9-4)28-45(56)53(48)60-34-46(57)51(58)40-32-44(55)52(59)47(33-40)64-50-31-39(15-10-5)30-49(62-42-24-18-36(12-7-2)19-25-42)54(50)63-43-26-20-37(13-8-3)21-27-43/h6-10,16-33,46,51,55-59H,1-5,11-15,34H2
InChIKey IVOVUEVMCCYVRQ-UHFFFAOYSA-N
Mol Weight 861.0 g/mol
Molecular Formula C54H52O10
Exact Mass 860.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdqKtWUkzX9
Name GARRETTILIGNAN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H52O10
InChI InChI=1S/C54H52O10/c1-6-11-35-16-22-41(23-17-35)61-48-29-38(14-9-4)28-45(56)53(48)60-34-46(57)51(58)40-32-44(55)52(59)47(33-40)64-50-31-39(15-10-5)30-49(62-42-24-18-36(12-7-2)19-25-42)54(50)63-43-26-20-37(13-8-3)21-27-43/h6-10,16-33,46,51,55-59H,1-5,11-15,34H2
InChIKey IVOVUEVMCCYVRQ-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 861.001 g/mol
Sample ID 36213
Solvent CDCl3