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acetic acid [(Z)-4-[[(3aR,4S,6E,10Z,11aR)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl]oxy]-4-keto-3-methylol-but-2-enyl] ester

View entire compound with spectra: 1 NMR

acetic acid [(Z)-4-[[(3aR,4S,6E,10Z,11aR)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl]oxy]-4-keto-3-methylol-but-2-enyl] ester
SpectraBase Compound ID BeXN6R57D2p
InChI InChI=1S/C22H28O8/c1-13-5-4-6-16(11-23)10-19-20(14(2)21(26)29-19)18(9-13)30-22(27)17(12-24)7-8-28-15(3)25/h5,7,10,18-20,23-24H,2,4,6,8-9,11-12H2,1,3H3/b13-5+,16-10-,17-7-/t18-,19+,20+/m0/s1
InChIKey KJVWRZGLXRPUHV-FSBSVGJXSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUgYBMFMTYe
Name acetic acid [(Z)-4-[[(3aR,4S,6E,10Z,11aR)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl]oxy]-4-keto-3-methylol-but-2-enyl] ester
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-13-5-4-6-16(11-23)10-19-20(14(2)21(26)29-19)18(9-13)30-22(27)17(12-24)7-8-28-15(3)25/h5,7,10,18-20,23-24H,2,4,6,8-9,11-12H2,1,3H3/b13-5+,16-10-,17-7-/t18-,19+,20+/m0/s1
InChIKey KJVWRZGLXRPUHV-FSBSVGJXSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,F.SANCENON,M.CARDA
Literature Reference Citation PHYTOCHEM.,66,1644(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.06.004
Molecular Weight 420.460 g/mol
Sample ID 26543
Solvent CDCl3