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SORBIFOLIVALTRATE_A;1-(3-METHYLCROTONYL)-7,11-DI-ISO-VALERYL_VALTRATE
SpectraBase Compound ID mqqMD7Dc7E
InChI InChI=1S/C25H34O8/c1-14(2)7-20(26)29-11-17-12-30-24(33-22(28)9-16(5)6)23-18(17)10-19(25(23)13-31-25)32-21(27)8-15(3)4/h9-10,12,14-15,19,23-24H,7-8,11,13H2,1-6H3/t19-,23+,24-,25+/m0/s1
InChIKey WZDQZUZGMJUYFF-ZZQRAECTSA-N
Mol Weight 462.5 g/mol
Molecular Formula C25H34O8
Exact Mass 462.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pDxmm1cWJu
Name SORBIFOLIVALTRATE_A;1-(3-METHYLCROTONYL)-7,11-DI-ISO-VALERYL_VALTRATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O8
InChI InChI=1S/C25H34O8/c1-14(2)7-20(26)29-11-17-12-30-24(33-22(28)9-16(5)6)23-18(17)10-19(25(23)13-31-25)32-21(27)8-15(3)4/h9-10,12,14-15,19,23-24H,7-8,11,13H2,1-6H3/t19-,23+,24-,25+/m0/s1
InChIKey WZDQZUZGMJUYFF-ZZQRAECTSA-N
Literature Reference Author Y.M.XU,S.P.MCLAUGHLIN,A.A.L.GUNATILAKA
Literature Reference Citation J.NAT.PROD.,70,2045(2007)
Literature Reference DOI 10.1021/np0704553
Molecular Weight 462.540 g/mol
Sample ID 31284
Solvent CDCl3