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3,4-SECO-4(23),14-TARAXERADIEN-3-METHYLESTER
SpectraBase Compound ID JXqWjoGxSHC
InChI InChI=1S/C31H50O2/c1-21(2)22-10-15-30(7)23(29(22,6)17-13-26(32)33-9)12-16-31(8)24(30)11-14-28(5)19-18-27(3,4)20-25(28)31/h11,22-23,25H,1,10,12-20H2,2-9H3/t22-,23+,25+,28-,29-,30+,31+/m1/s1
InChIKey DSFMIUNZXJFQRC-JEEGESHBSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHYUOEI3PMr
Name 3,4-SECO-4(23),14-TARAXERADIEN-3-METHYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-21(2)22-10-15-30(7)23(29(22,6)17-13-26(32)33-9)12-16-31(8)24(30)11-14-28(5)19-18-27(3,4)20-25(28)31/h11,22-23,25H,1,10,12-20H2,2-9H3/t22-,23+,25+,28-,29-,30+,31+/m1/s1
InChIKey DSFMIUNZXJFQRC-JEEGESHBSA-N
Literature Reference Author J.DEPASCUALTERESA,J.G.URONES,I.S.MARCOS,P.BASABE,M.J.S.CUADR ADO,R.F.MORO
Literature Reference Citation PHYTOCHEM.,26,1767(1987)
Literature Reference DOI 10.1016/S0031-9422(00)82286-4
Molecular Weight 454.737 g/mol
Solvent CDCl3
Source File Reference UWCS7885