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(4R,5R,7S,8S,9S,10S,11S)-7,9-DIHYDROXY-8-TOSYLOXYJIQUILP-3(12)-ENE
SpectraBase Compound ID 8iGweGDcugQ
InChI InChI=1S/C22H30O5S/c1-12-6-8-15(9-7-12)28(25,26)27-18-19(23)21(3,4)16-11-14-10-13(2)17(16)22(14,5)20(18)24/h6-9,14,16-20,23-24H,2,10-11H2,1,3-5H3/t14-,16+,17-,18+,19+,20+,22-/m0/s1
InChIKey SSMVANUGSRGDHJ-AMJBXSNWSA-N
Mol Weight 406.54 g/mol
Molecular Formula C22H30O5S
Exact Mass 406.181395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QcGcU1ONB2
Name (4R,5R,7S,8S,9S,10S,11S)-7,9-DIHYDROXY-8-TOSYLOXYJIQUILP-3(12)-ENE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5S
InChI InChI=1S/C22H30O5S/c1-12-6-8-15(9-7-12)28(25,26)27-18-19(23)21(3,4)16-11-14-10-13(2)17(16)22(14,5)20(18)24/h6-9,14,16-20,23-24H,2,10-11H2,1,3-5H3/t14-,16+,17-,18+,19+,20+,22-/m0/s1
InChIKey SSMVANUGSRGDHJ-AMJBXSNWSA-N
Literature Reference Author L.U.ROMAN,C.M.CERDA-GARCIA-ROJAS,R.GUZMAN,C.ARMENTA,J.D.HERN ANDEZ,P.JOSEPH-NATHA
Literature Reference Citation J.NAT.PROD.,65,1540(2002)
Literature Reference DOI 10.1021/np0201570
Molecular Weight 406.537 g/mol
Solvent CDCl3
Source File Reference UWSI7131