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#4;STEMONATUBERONOL-A;(REL)-(3S*,3AR*,6S*,12S*,13R*,13AR*)-13-ETHYL-13-HYDROXY-3-METHYL-6-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-2H-7,12-MET
SpectraBase Compound ID AVlg4X1lnoI
InChI InChI=1S/C22H31NO7/c1-4-22(28)13-7-5-6-8-23(19(13)25)14(16-9-11(2)20(26)29-16)10-15(24)17-12(3)21(27)30-18(17)22/h11-14,16-18,28H,4-10H2,1-3H3/t11-,12-,13+,14-,16-,17-,18+,22+/m0/s1
InChIKey CGXHZPNKKPRTSW-XWHLSXJBSA-N
Mol Weight 421.49 g/mol
Molecular Formula C22H31NO7
Exact Mass 421.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hz0ilAhjOhW
Name #4;STEMONATUBERONOL-A;(REL)-(3S*,3AR*,6S*,12S*,13R*,13AR*)-13-ETHYL-13-HYDROXY-3-METHYL-6-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-2H-7,12-MET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO7
InChI InChI=1S/C22H31NO7/c1-4-22(28)13-7-5-6-8-23(19(13)25)14(16-9-11(2)20(26)29-16)10-15(24)17-12(3)21(27)30-18(17)22/h11-14,16-18,28H,4-10H2,1-3H3/t11-,12-,13+,14-,16-,17-,18+,22+/m0/s1
InChIKey CGXHZPNKKPRTSW-XWHLSXJBSA-N
Literature Reference Author Y.YUE,A.J.DENG,Z.H.LI,A.L.LIU,L.MA,Z.H.ZHANG,X.L.WANG,G.H.DU ,H.L.QIN
Literature Reference Citation MAGN.RES.CHEM.,52,719(2014)
Literature Reference DOI 10.1002/mrc.4099
Molecular Weight 421.491 g/mol
Solvent DMSO-D6
Source File Reference UWBT15805