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TUMONOIC_ACID_I
SpectraBase Compound ID C9Qtb1TUeO5
InChI InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17-,18+,19+,20-,21-,22+,23+/m0/s1
InChIKey LWUJNFXMOSWRGO-IGBQCTDWSA-N
Mol Weight 497.7 g/mol
Molecular Formula C27H47NO7
Exact Mass 497.335253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1105G1tzhr
Name TUMONOIC_ACID_I
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47NO7
InChI InChI=1S/C27H47NO7/c1-8-11-13-17(4)16-20(7)24(29)28-15-12-14-21(28)26(32)35-23(19(6)10-3)27(33)34-22(25(30)31)18(5)9-2/h17-23H,8-16H2,1-7H3,(H,30,31)/t17-,18+,19+,20-,21-,22+,23+/m0/s1
InChIKey LWUJNFXMOSWRGO-IGBQCTDWSA-N
Literature Reference Author B.R.CLARK,N.ENGENE,M.E.TEASDALE,D.C.ROWLEY,T.MATAINAHO,F.A.V ALERIOTE,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,71,1530(2008)
Literature Reference DOI 10.1021/np800088a
Molecular Weight 497.673 g/mol
Sample ID 29015
Solvent CDCl3