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#8A;N'-[3-[2-[2-[3-[4-(DITHIOLAN-3-YL)-BUTANOYLAMINO]-PROPOXY]-ETHOXY]-ETHOXY]-PROPYL]-N-[(1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)-PROPYL]-BUTANEDIAMIDE

View entire compound with spectra: 1 NMR

#8A;N'-[3-[2-[2-[3-[4-(DITHIOLAN-3-YL)-BUTANOYLAMINO]-PROPOXY]-ETHOXY]-ETHOXY]-PROPYL]-N-[(1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)-PROPYL]-BUTANEDIAMIDE
SpectraBase Compound ID ERtspvfgb3P
InChI InChI=1S/2C26H49N3O8S2/c2*1-21(31)23(20-30)29-26(34)9-8-25(33)28-12-5-14-36-16-18-37-17-15-35-13-4-11-27-24(32)7-3-2-6-22-10-19-38-39-22/h2*21-23,30-31H,2-20H2,1H3,(H,27,32)(H,28,33)(H,29,34)/t2*21-,22?,23-/m11/s1
InChIKey CWPJCGOKVRPMIZ-QLERABHRSA-N
Mol Weight 1191.6 g/mol
Molecular Formula C52H98N6O16S4
Exact Mass 1190.592216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rm5kbfmWhd
Name #8A;N'-[3-[2-[2-[3-[4-(DITHIOLAN-3-YL)-BUTANOYLAMINO]-PROPOXY]-ETHOXY]-ETHOXY]-PROPYL]-N-[(1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)-PROPYL]-BUTANEDIAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H98N6O16S4
InChI InChI=1S/2C26H49N3O8S2/c2*1-21(31)23(20-30)29-26(34)9-8-25(33)28-12-5-14-36-16-18-37-17-15-35-13-4-11-27-24(32)7-3-2-6-22-10-19-38-39-22/h2*21-23,30-31H,2-20H2,1H3,(H,27,32)(H,28,33)(H,29,34)/t2*21-,22?,23-/m11/s1
InChIKey CWPJCGOKVRPMIZ-QLERABHRSA-N
Literature Reference Author S.PEREZ-RENTERO,S.GRIJALVO,G.PENUELAS,C.FABREGA,R.ERITJA
Literature Reference Citation MOLECULES,19,10495(2014)
Literature Reference DOI 10.3390/molecules190710495
Molecular Weight 1191.621 g/mol
Solvent CDCl3
Source File Reference UWIR15309