John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JRXmJTxjn3Z SpectraBase Spectrum ID=1I5ZVyjHZVt

(accessed ).
OZIUKOYPGBRBHE-APZZFNGPSA-N
SpectraBase Compound ID JRXmJTxjn3Z
InChI InChI=1S/C42H60O2S3/c1-25(43)31-11-13-33-29-9-7-27-23-41(21-19-37(27,3)35(29)15-17-39(31,33)5)45-42(47-46-41)22-20-38(4)28(24-42)8-10-30-34-14-12-32(26(2)44)40(34,6)18-16-36(30)38/h23-24,29-36H,7-22H2,1-6H3/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41?,42?/m0/s1
InChIKey OZIUKOYPGBRBHE-APZZFNGPSA-N
Mol Weight 693.1 g/mol
Molecular Formula C42H60O2S3
Exact Mass 692.375547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I5ZVyjHZVt
Name OZIUKOYPGBRBHE-APZZFNGPSA-N
Compound Number 5D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H60O2S3
InChI InChI=1S/C42H60O2S3/c1-25(43)31-11-13-33-29-9-7-27-23-41(21-19-37(27,3)35(29)15-17-39(31,33)5)45-42(47-46-41)22-20-38(4)28(24-42)8-10-30-34-14-12-32(26(2)44)40(34,6)18-16-36(30)38/h23-24,29-36H,7-22H2,1-6H3/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41?,42?/m0/s1
InChIKey OZIUKOYPGBRBHE-APZZFNGPSA-N
Literature Reference Author N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC
Literature Reference Citation MOLECULES,15,3462(2010)
Literature Reference DOI 10.3390/molecules15053462
Molecular Weight 693.117 g/mol
Sample ID 70914
Solvent CDCl3
SpectraBase Batch ID 97fw6FGaN6w