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JATJPYPLRJXCES-WTNTUZIRSA-N

View entire compound with spectra: 1 NMR

JATJPYPLRJXCES-WTNTUZIRSA-N
SpectraBase Compound ID 5hMCy8eBQLR
InChI InChI=1S/C55H60O10S/c1-66-55-53(52(62-37-45-30-18-7-19-31-45)50(60-35-43-26-14-5-15-27-43)47(64-55)39-58-33-41-22-10-3-11-23-41)65-54-48(56)51(61-36-44-28-16-6-17-29-44)49(59-34-42-24-12-4-13-25-42)46(63-54)38-57-32-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3/t46-,47+,48+,49-,50+,51-,52-,53-,54-,55+/m0/s1
InChIKey JATJPYPLRJXCES-WTNTUZIRSA-N
Mol Weight 913.1 g/mol
Molecular Formula C55H60O10S
Exact Mass 912.390719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Az4RDQUPHAv
Name JATJPYPLRJXCES-WTNTUZIRSA-N
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H60O10S
InChI InChI=1S/C55H60O10S/c1-66-55-53(52(62-37-45-30-18-7-19-31-45)50(60-35-43-26-14-5-15-27-43)47(64-55)39-58-33-41-22-10-3-11-23-41)65-54-48(56)51(61-36-44-28-16-6-17-29-44)49(59-34-42-24-12-4-13-25-42)46(63-54)38-57-32-40-20-8-2-9-21-40/h2-31,46-56H,32-39H2,1H3/t46-,47+,48+,49-,50+,51-,52-,53-,54-,55+/m0/s1
InChIKey JATJPYPLRJXCES-WTNTUZIRSA-N
Literature Reference Author I.MATSUO,M.WADA,S.MANABE,Y.YAMAGUCHI,K.OTAKE,K.KATO,Y.ITO
Literature Reference Citation J.AM.CHEM.SOC.,125,3402(2003)
Literature Reference DOI 10.1021/ja021288q
Molecular Weight 913.135 g/mol
Sample ID 30295
Solvent CDCl3