John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BhTCET7dZ9n SpectraBase Spectrum ID=2W9h9sO9OPC

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TUMONOIC-ACID-C
SpectraBase Compound ID BhTCET7dZ9n
InChI InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1
InChIKey JMMSUMNUHPWPOM-ITIUQMENSA-N
Mol Weight 511.7 g/mol
Molecular Formula C27H45NO8
Exact Mass 511.314518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2W9h9sO9OPC
Name TUMONOIC-ACID-C
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45NO8
InChI InChI=1S/C27H45NO8/c1-7-8-9-10-11-12-14-18(4)22(29)19(5)24(30)28-16-13-15-21(28)26(33)36-23(17(2)3)27(34)35-20(6)25(31)32/h14,17,19-23,29H,7-13,15-16H2,1-6H3,(H,31,32)/b18-14+/t19-,20+,21+,22-,23-/m1/s1
InChIKey JMMSUMNUHPWPOM-ITIUQMENSA-N
Literature Reference Author G.G.HARRIGAN,H.LUESCH,W.Y.YOSHIDA,R.E.MOORE,D.G.NAGLE,J.BIGG S,P.U.PARK,V.J.PAUL
Literature Reference Citation J.NAT.PROD.,62,464(1999)
Literature Reference DOI 10.1021/np980460u
Molecular Weight 511.656 g/mol
Solvent CDCl3
Source File Reference UWCP7591
SpectraBase Batch ID BdPiX0WqcHq