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8-ALPHA-(2'-HYDROXYMETHYL-2'-BUTENOYLOXY)-1-BETA,6-ALPHA-DIHYDROXY-15-OXO-11(13)-EUDESMEN-12-OIC-ACID
SpectraBase Compound ID C6FQzl9i7nT
InChI InChI=1S/C21H30O8/c1-5-12(9-22)20(27)29-14-8-21(3)15(24)7-6-13(10-23)17(21)18(25)16(14)11(2)19(26)28-4/h5,10,13-18,22,24-25H,2,6-9H2,1,3-4H3/b12-5+/t13-,14-,15+,16+,17?,18-,21-/m1/s1
InChIKey SJDLIJHKRINTTQ-UPKASRKUSA-N
Mol Weight 410.46 g/mol
Molecular Formula C21H30O8
Exact Mass 410.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j3CIk0rNO9
Name 8-ALPHA-(2'-HYDROXYMETHYL-2'-BUTENOYLOXY)-1-BETA,6-ALPHA-DIHYDROXY-15-OXO-11(13)-EUDESMEN-12-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O8
InChI InChI=1S/C21H30O8/c1-5-12(9-22)20(27)29-14-8-21(3)15(24)7-6-13(10-23)17(21)18(25)16(14)11(2)19(26)28-4/h5,10,13-18,22,24-25H,2,6-9H2,1,3-4H3/b12-5+/t13-,14-,15+,16+,17?,18-,21-/m1/s1
InChIKey SJDLIJHKRINTTQ-UPKASRKUSA-N
Literature Reference Author A.BRACA,N.DETOMMASI,I.MORELLI,C.PIZZA
Literature Reference Citation J.NAT.PROD.,62,1371(1999)
Literature Reference DOI 10.1021/np990098z
Molecular Weight 410.464 g/mol
Solvent CD3OD
Source File Reference UWCP8477