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1-METHOXY-3,4-DIDEHYDRO-1,2,7',8'-TETRAHYDRO-CAROTENE;ALL-E-SPHEROIDENE
SpectraBase Compound ID KLA5gqXa6d7
InChI InChI=1S/C41H60O/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/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey FJOCMTHZSURUFA-AXYGSFPTSA-N
Mol Weight 568.9 g/mol
Molecular Formula C41H60O
Exact Mass 568.464417 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AY5Qt43gUKE
Name 1-METHOXY-3,4-DIDEHYDRO-1,2,7',8'-TETRAHYDRO-XI,XI-CAROTENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H60O
InChI InChI=1S/C41H60O/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/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKey FJOCMTHZSURUFA-AXYGSFPTSA-N
Literature Reference Author R.GEBHARD,K.VANDERHOEF,A.W.M.LEFEBER,C.ERKELENS,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,109,378(1990)
Literature Reference DOI 10.1002/recl.19901090604
Molecular Weight 568.927 g/mol
Solvent CDCl3
Source File Reference UWRK556