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USELYJWCLHIYGY-RQHJUSQASA-N

View entire compound with spectra: 1 NMR

USELYJWCLHIYGY-RQHJUSQASA-N
SpectraBase Compound ID fZ1xLXAfaW
InChI InChI=1S/C68H104O8/c1-21-45(13)37-73-65-33-61(69-17)53-29-57(65)49(25-41(5)6)54-30-58(66(34-62(54)70-18)74-38-46(14)22-2)51(27-43(9)10)56-32-60(68(36-64(56)72-20)76-40-48(16)24-4)52(28-44(11)12)55-31-59(50(53)26-42(7)8)67(35-63(55)71-19)75-39-47(15)23-3/h29-36,41-52H,21-28,37-40H2,1-20H3/t45-,46-,47+,48+,49?,50?,51?,52?
InChIKey USELYJWCLHIYGY-RQHJUSQASA-N
Mol Weight 1049.6 g/mol
Molecular Formula C68H104O8
Exact Mass 1048.77312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTKsQSojeaK
Name USELYJWCLHIYGY-RQHJUSQASA-N
Compound Number 4A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H104O8
InChI InChI=1S/C68H104O8/c1-21-45(13)37-73-65-33-61(69-17)53-29-57(65)49(25-41(5)6)54-30-58(66(34-62(54)70-18)74-38-46(14)22-2)51(27-43(9)10)56-32-60(68(36-64(56)72-20)76-40-48(16)24-4)52(28-44(11)12)55-31-59(50(53)26-42(7)8)67(35-63(55)71-19)75-39-47(15)23-3/h29-36,41-52H,21-28,37-40H2,1-20H3/t45-,46-,47+,48+,49?,50?,51?,52?
InChIKey USELYJWCLHIYGY-RQHJUSQASA-N
Literature Reference Author M.KLAES,B.NEUMANN,H.G.STAMMLER,J.MATTAY
Literature Reference Citation EUR.J.ORG.CHEM.,864(2005)
Molecular Weight 1049.569 g/mol
Sample ID 39060
Solvent CD2Cl2