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(+)-(1'S,4'S)-5-(4'-ACETOXY-1'-HYDROXY-2',6',6'-TRIMETHYLCYCLOHEX-2'-ENYL)-3-METHYLPENTA-2',4'-DIENOIC-ACID-METHYLESTER
SpectraBase Compound ID AYvQDlaruwu
InChI InChI=1S/C18H26O5/c1-12(9-16(20)22-6)7-8-18(21)13(2)10-15(23-14(3)19)11-17(18,4)5/h7-10,15,21H,11H2,1-6H3/b8-7+,12-9+/t15-,18+/m1/s1
InChIKey PQROZPQDSFZIOX-AQKLTCFTSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUmM1BiJBgX
Name (+)-(1'S,4'S)-5-(4'-ACETOXY-1'-HYDROXY-2',6',6'-TRIMETHYLCYCLOHEX-2'-ENYL)-3-METHYLPENTA-2',4'-DIENOIC-ACID-METHYLESTER
Compound Number 11
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Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-12(9-16(20)22-6)7-8-18(21)13(2)10-15(23-14(3)19)11-17(18,4)5/h7-10,15,21H,11H2,1-6H3/b8-7+,12-9+/t15-,18+/m1/s1
InChIKey PQROZPQDSFZIOX-AQKLTCFTSA-N
Literature Reference Author D.J.BUSCHOR,C.H.EUGSTER
Literature Reference Citation HELV.CHIM.ACTA,73,1002(1990)
Literature Reference DOI 10.1002/hlca.19900730426
Molecular Weight 322.401 g/mol
Solvent CDCl3
Source File Reference UWCS12554