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(2'-R,3'S,6'-S,5-RS)-7-[6-METHOXY-4-OXO-3-(2-Z-OCTENYL)-TETRAHYDROPYRAN-2-YL]-6-E-HEPTEN-5-OLIDE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID 1s5wvwFUDHr
InChI InChI=1S/2C21H32O5/c2*1-3-4-5-6-7-8-11-17-18(22)15-21(24-2)26-19(17)14-13-16-10-9-12-20(23)25-16/h2*7-8,13-14,16-17,19,21H,3-6,9-12,15H2,1-2H3/b2*8-7+,14-13+/t16-,17+,19-,21+;16-,17-,19+,21-/m01/s1
InChIKey QNNGVQCUHBIBRA-LSIZOFBXSA-N
Mol Weight 729.0 g/mol
Molecular Formula C42H64O10
Exact Mass 728.449948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJF8nVBFiwE
Name (2'-R,3'S,6'-S,5-RS)-7-[6-METHOXY-4-OXO-3-(2-Z-OCTENYL)-TETRAHYDROPYRAN-2-YL]-6-E-HEPTEN-5-OLIDE;MIXTURE_OF_ISOMERS
Compound Number XIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O10
InChI InChI=1S/2C21H32O5/c2*1-3-4-5-6-7-8-11-17-18(22)15-21(24-2)26-19(17)14-13-16-10-9-12-20(23)25-16/h2*7-8,13-14,16-17,19,21H,3-6,9-12,15H2,1-2H3/b2*8-7+,14-13+/t16-,17+,19-,21+;16-,17-,19+,21-/m01/s1
InChIKey QNNGVQCUHBIBRA-LSIZOFBXSA-N
Literature Reference Author R.R.AKHMETVALLEV,R.V.BIKBULATOV,T.A.BELOGAEVA,F.A.AKBUTINA,M .S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,658(2003)
Literature Reference DOI 10.1023/A:1026053111451
Molecular Weight 728.964 g/mol
Solvent CDCl3
Source File Reference UWMZ21718