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(E)-2-methylbut-2-enoic acid [(3aR,4R,5R,6E,10E,11aS)-4-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-5-yl] ester

View entire compound with spectra: 1 NMR

(E)-2-methylbut-2-enoic acid [(3aR,4R,5R,6E,10E,11aS)-4-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-5-yl] ester
SpectraBase Compound ID Hm1TNEAj1AO
InChI InChI=1S/C20H26O5/c1-6-12(3)19(22)25-18-13(4)9-7-8-11(2)10-15-16(17(18)21)14(5)20(23)24-15/h6,9-10,15-18,21H,5,7-8H2,1-4H3/b11-10+,12-6+,13-9+/t15-,16-,17+,18+/m0/s1
InChIKey SLFNZRXROGKMKG-DVDXZMGRSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVT2qfAaYkC
Name (E)-2-methylbut-2-enoic acid [(3aR,4R,5R,6E,10E,11aS)-4-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-5-yl] ester
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-6-12(3)19(22)25-18-13(4)9-7-8-11(2)10-15-16(17(18)21)14(5)20(23)24-15/h6,9-10,15-18,21H,5,7-8H2,1-4H3/b11-10+,12-6+,13-9+/t15-,16-,17+,18+/m0/s1
InChIKey SLFNZRXROGKMKG-DVDXZMGRSA-N
Literature Reference Author S.MUELLER,R.MURILLO,V.CASTRO,V.BRECHT,I.MERFORT
Literature Reference Citation J.NAT.PROD.,67,622(2004)
Literature Reference DOI 10.1021/np034072q
Molecular Weight 346.423 g/mol
Solvent CDCl3
Source File Reference UWMZ5664