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INULACAPPOLIDE;2-ALPHA-ACETOXY-3-BETA-HYDROXY-9-BETA-ANGELOYLOXY-GERMACRA-4-EN-6-ALPHA,12-OLIDE
SpectraBase Compound ID LNKfQQ5o4Lc
InChI InChI=1S/C22H30O7/c1-7-11(2)21(25)28-17-10-16-14(5)22(26)29-18(16)9-13(4)20(24)19(8-12(17)3)27-15(6)23/h7,9,12,16-20,24H,5,8,10H2,1-4,6H3/b11-7-,13-9+/t12-,16-,17-,18+,19+,20+/m0/s1
InChIKey HYXWBDOQECVHRI-VZULUQHISA-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 KnmDt75CQLd
Name INULACAPPOLIDE;2-ALPHA-ACETOXY-3-BETA-HYDROXY-9-BETA-ANGELOYLOXY-GERMACRA-4-EN-6-ALPHA,12-OLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-7-11(2)21(25)28-17-10-16-14(5)22(26)29-18(16)9-13(4)20(24)19(8-12(17)3)27-15(6)23/h7,9,12,16-20,24H,5,8,10H2,1-4,6H3/b11-7-,13-9+/t12-,16-,17-,18+,19+,20+/m0/s1
InChIKey HYXWBDOQECVHRI-VZULUQHISA-N
Literature Reference Author H.G.XIE,H.CHEN,B.CAO,H.W.ZHANG,Z.M.ZOU
Literature Reference Citation CHEM.PHARM.BULL.,55,1258(2007)
Literature Reference DOI 10.1248/cpb.55.1258
Molecular Weight 406.476 g/mol
Sample ID 56138
Solvent CDCl3