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1(10)E-(3S,4R,5R,7S,8S)-14-Acetyloxy-3,4-epoxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),11(13)-dien-8,12-olide
SpectraBase Compound ID HlA2Tv0rdPT
InChI InChI=1S/C22H30O8/c1-12(2)7-20(25)28-11-22-18(24)9-16-13(3)21(26)29-17(16)8-15(10-27-14(4)23)5-6-19(22)30-22/h5,12,16-19,24H,3,6-11H2,1-2,4H3/b15-5+/t16-,17+,18-,19+,22-/m1/s1
InChIKey ALKJEOWDCFQCTJ-DGRDYZOHSA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92O68p4H0Sj
Name 1(10)E-(3S,4R,5R,7S,8S)-14-ACETYLOXY-3,4-EPOXY-5-HYDROXY-15-ISOVALEROYLOXYGERMACRA-1(10),11(13)-DIEN-8,12-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-12(2)7-20(25)28-11-22-18(24)9-16-13(3)21(26)29-17(16)8-15(10-27-14(4)23)5-6-19(22)30-22/h5,12,16-19,24H,3,6-11H2,1-2,4H3/b15-5+/t16-,17+,18-,19+,22-/m1/s1
InChIKey ALKJEOWDCFQCTJ-DGRDYZOHSA-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 422.475 g/mol
Solvent CDCl3
Source File Reference UWSP86