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OUIMNZABRXUTHM-PENUYQAUSA-M

View entire compound with spectra: 1 NMR

OUIMNZABRXUTHM-PENUYQAUSA-M
SpectraBase Compound ID 7BgPhDvHhBO
InChI InChI=1S/C43H80O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b18-17+;/t36-,37-,40-,41+,42-,43+;/m1./s1
InChIKey OUIMNZABRXUTHM-PENUYQAUSA-M
Mol Weight 843.1 g/mol
Molecular Formula C43H79NaO12S
Exact Mass 842.518993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Ycs3k7bATy
Name OUIMNZABRXUTHM-PENUYQAUSA-M
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H79NaO12S
InChI InChI=1S/C43H80O12S.Na/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(44)52-33-36(34-53-43-42(48)41(47)40(46)37(55-43)35-56(49,50)51)54-39(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2;/h17-18,36-37,40-43,46-48H,3-16,19-35H2,1-2H3,(H,49,50,51);/q;+1/p-1/b18-17+;/t36-,37-,40-,41+,42-,43+;/m1./s1
InChIKey OUIMNZABRXUTHM-PENUYQAUSA-M
Literature Reference Author V.RESHEF,E.MIZRACHI,T.MARETZKI,C.SILBERSTEIN,S.LOYA,A.HIZI,S .CARMELI
Literature Reference Citation J.NAT.PROD.,60,1251(1997)
Literature Reference DOI 10.1021/np970327m
Molecular Weight 843.143 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWRU347