John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12WmO0EDmCC SpectraBase Spectrum ID=DEHEpuCAR5L

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TARAXERENE
SpectraBase Compound ID 12WmO0EDmCC
InChI InChI=1S/C30H50/c1-25(2)18-19-27(5)15-10-22-29(7)16-11-21-26(3,4)13-9-14-28(21,6)23(29)12-17-30(22,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21-,23+,24+,27-,28-,29-,30+/m0/s1
InChIKey YZXXDCMEYOSCRT-DULDIKPFSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEHEpuCAR5L
Name TARAXERENE
Compound Number 1A
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-25(2)18-19-27(5)15-10-22-29(7)16-11-21-26(3,4)13-9-14-28(21,6)23(29)12-17-30(22,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21-,23+,24+,27-,28-,29-,30+/m0/s1
InChIKey YZXXDCMEYOSCRT-DULDIKPFSA-N
Literature Reference Author R.B.BATES,N.E.JACOBSEN,W.N.SETZER,C.C.STESSMAN
Literature Reference Citation MAGN.RES.CHEM.,36,539(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199807)36:7<539::aid-omr318>3.3.co;2-5
Molecular Weight 410.727 g/mol
Solvent CDCl3
Source File Reference UWRU1199
SpectraBase Batch ID 7KiyJmTVMEs