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DAUCOSTEROL
SpectraBase Compound ID 6DjET5Aqfsg
InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21?,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey NPJICTMALKLTFW-KQWPXJJSSA-N
Mol Weight 576.9 g/mol
Molecular Formula C35H60O6
Exact Mass 576.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUDopK9XTwv
Name DAUCOSTEROL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H60O6
InChI InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21?,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey NPJICTMALKLTFW-KQWPXJJSSA-N
Literature Reference Author A.LENDL,I.WERNER,S.GLASL,C.KLETTER,P.MUCAJI,A.PRESSER,G.REZN ICEK,J.JURENITSCH,D.
Literature Reference Citation PHYTOCHEM.,66,2381(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.07.002
Molecular Weight 576.858 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWMZ19727