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METHYL-TUMONOATE-B

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METHYL-TUMONOATE-B
SpectraBase Compound ID KL45kAhYfM1
InChI InChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24+,25+/m0/s1
InChIKey RYWKXTITOBZASH-DZOJKPGOSA-N
Mol Weight 539.7 g/mol
Molecular Formula C29H49NO8
Exact Mass 539.345818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtOH5rYVl66
Name METHYL-TUMONOATE-B
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H49NO8
InChI InChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24+,25+/m0/s1
InChIKey RYWKXTITOBZASH-DZOJKPGOSA-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 539.710 g/mol
Solvent CD3CN
Source File Reference UWCP7590