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1(10)E-3Z-(5R,7S,8S)-14-Acetyloxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),3,11(13)-trien-8,12-olide
SpectraBase Compound ID CdmmqGIcfBI
InChI InChI=1S/C22H30O7/c1-13(2)8-21(25)28-12-17-7-5-6-16(11-27-15(4)23)9-20-18(10-19(17)24)14(3)22(26)29-20/h6-7,13,18-20,24H,3,5,8-12H2,1-2,4H3/b16-6+,17-7-/t18-,19-,20+/m1/s1
InChIKey OPVPNOGTBBMACR-PYTMWKHTSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1rEfj4QLL7
Name 1(10)E-3Z-(5R,7S,8S)-14-ACETYLOXY-5-HYDROXY-15-ISOVALEROYLOXYGERMACRA-1(10),3,11(13)-TRIEN-8,12-OLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-13(2)8-21(25)28-12-17-7-5-6-16(11-27-15(4)23)9-20-18(10-19(17)24)14(3)22(26)29-20/h6-7,13,18-20,24H,3,5,8-12H2,1-2,4H3/b16-6+,17-7-/t18-,19-,20+/m1/s1
InChIKey OPVPNOGTBBMACR-PYTMWKHTSA-N
Literature Reference Author C.A.N.CATALAN,M.D.R.CUENCA,L.R.HERNANDEZ,P.JOSEPH-NATHAN
Literature Reference Citation J.NAT.PROD.,66,949(2003)
Literature Reference DOI 10.1021/np030055p
Molecular Weight 406.476 g/mol
Solvent CDCl3
Source File Reference UWSP88