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acetic acid [(1R,4E,6S,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-6-yl] ester

View entire compound with spectra: 1 NMR

acetic acid [(1R,4E,6S,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-6-yl] ester
SpectraBase Compound ID Hwi3NqGUura
InChI InChI=1S/C22H30O5/c1-13-6-7-20-16(4)22(25)27-21(20)12-15(3)9-18(24)8-14(2)11-19(10-13)26-17(5)23/h8,10,12,18-21,24H,4,6-7,9,11H2,1-3,5H3/b13-10+,14-8+,15-12+/t18-,19-,20-,21+/m1/s1
InChIKey ZABQXTXMKPWJCW-PMCHORHHSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwMiWztcGX9
Name acetic acid [(1R,4E,6S,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-6-yl] ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-13-6-7-20-16(4)22(25)27-21(20)12-15(3)9-18(24)8-14(2)11-19(10-13)26-17(5)23/h8,10,12,18-21,24H,4,6-7,9,11H2,1-3,5H3/b13-10+,14-8+,15-12+/t18-,19-,20-,21+/m1/s1
InChIKey ZABQXTXMKPWJCW-PMCHORHHSA-N
Literature Reference Author M.IWASHIMA,Y.MATSUMOTO,H.TAKAHASHI,K.IGUCHI
Literature Reference Citation J.NAT.PROD.,63,1647(2000)
Literature Reference DOI 10.1021/np000309w
Molecular Weight 374.477 g/mol
Solvent CDCl3
Source File Reference UWRU7173