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acetic acid [(1S,2S,4E,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ester

View entire compound with spectra: 1 NMR

acetic acid [(1S,2S,4E,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ester
SpectraBase Compound ID JaYQLIj4ZTK
InChI InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-19(26-17(5)23)21-16(4)22(25)27-20(21)12-15(3)10-18(24)9-13/h8-9,12,18-21,24H,4,6-7,10-11H2,1-3,5H3/b13-9+,14-8+,15-12+/t18-,19+,20+,21+/m1/s1
InChIKey ISGQPXKSBWMSAH-HPSRFADGSA-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 3zKBLbAg7iP
Name acetic acid [(1S,2S,4E,8E,10S,12E,14S)-10-hydroxy-16-keto-4,8,12-trimethyl-17-methylene-15-oxabicyclo[12.3.0]heptadeca-4,8,12-trien-2-yl] ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-19(26-17(5)23)21-16(4)22(25)27-20(21)12-15(3)10-18(24)9-13/h8-9,12,18-21,24H,4,6-7,10-11H2,1-3,5H3/b13-9+,14-8+,15-12+/t18-,19+,20+,21+/m1/s1
InChIKey ISGQPXKSBWMSAH-HPSRFADGSA-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