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ALL-E-3,4,11',12'-TETRAHYDROSPHEROIDENE
SpectraBase Compound ID Fo7fGMUOD6k
InChI InChI=1S/C41H64O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3/b13-12+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey BISHVLROUFQUDS-LYYKGUCYSA-N
Mol Weight 573.0 g/mol
Molecular Formula C41H64O
Exact Mass 572.495717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdWM0VVqSrn
Name ALL-E-3,4,11',12'-TETRAHYDROSPHEROIDENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H64O
InChI InChI=1S/C41H64O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,16,18,20-22,25-28,30-31H,14-15,17,19,23-24,29,32-33H2,1-11H3/b13-12+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey BISHVLROUFQUDS-LYYKGUCYSA-N
Literature Reference Author R.GEBHARD,J.T.M.VANDIJK,E.VANOUWERKERK,M.V.T.J.BOZA,J.LUGTEN BURG
Literature Reference Citation REC.TR.CH.P.-B.,110,459(1991)
Literature Reference DOI 10.1002/recl.19911101105
Molecular Weight 572.959 g/mol
Solvent CDCl3
Source File Reference UWTS2274