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(+)-(13-R,19-S)-2-ALPHA-ISOBUTYRYLOXY-7-BETA,11-ALPHA,19-TRIHYDROXY-N-METHYL-13-(S-2-METHYLBUTYRYLOXY)-HETISANIUM_HYDROXIDE

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(+)-(13-R,19-S)-2-ALPHA-ISOBUTYRYLOXY-7-BETA,11-ALPHA,19-TRIHYDROXY-N-METHYL-13-(S-2-METHYLBUTYRYLOXY)-HETISANIUM_HYDROXIDE
SpectraBase Compound ID Au6fxwSFevY
InChI InChI=1S/C30H44NO7.O/c1-8-13(4)26(35)38-20-16-14(5)9-29-17(20)23-30(22(29)19(16)32)11-15(37-25(34)12(2)3)10-28(6)21(30)18(24(29)33)31(23,7)27(28)36;/h12-13,15-24,27,32-33,36H,5,8-11H2,1-4,6-7H3;/q+1;-1/t13-,15+,16-,17?,18-,19-,20-,21-,22-,23-,24+,27-,28-,29+,30+,31?;/m1./s1
InChIKey KNAFQLNGPQDIMU-BANHDIHKSA-N
Mol Weight 546.7 g/mol
Molecular Formula C30H44NO8
Exact Mass 546.306692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lNPhiyP4XE
Name (+)-(13-R,19-S)-2-ALPHA-ISOBUTYRYLOXY-7-BETA,11-ALPHA,19-TRIHYDROXY-N-METHYL-13-(S-2-METHYLBUTYRYLOXY)-HETISANIUM_HYDROXIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44NO8
InChI InChI=1S/C30H44NO7.O/c1-8-13(4)26(35)38-20-16-14(5)9-29-17(20)23-30(22(29)19(16)32)11-15(37-25(34)12(2)3)10-28(6)21(30)18(24(29)33)31(23,7)27(28)36;/h12-13,15-24,27,32-33,36H,5,8-11H2,1-4,6-7H3;/q+1;-1/t13-,15+,16-,17?,18-,19-,20-,21-,22-,23-,24+,27-,28-,29+,30+,31?;/m1./s1
InChIKey KNAFQLNGPQDIMU-BANHDIHKSA-N
Literature Reference Author B.JIANG,S.LIN,C.ZHU,S.WANG,Y.WANG,M.CHEN,J.ZHANG,J.HU,N.CHEN ,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1145(2012)
Literature Reference DOI 10.1021/np300225t
Molecular Weight 546.681 g/mol
Sample ID 41146
Solvent ACETONE-D6