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SHOREAKETONE;MAJOR-CONFORMER

View entire compound with spectra: 2 NMR

SHOREAKETONE;MAJOR-CONFORMER
SpectraBase Compound ID FUZO9LnFKS4
InChI InChI=1S/C56H42O12/c57-29-7-1-25(2-8-29)52-49(38-18-35(63)21-41-46(38)45(28-15-33(61)17-34(62)16-28)54(67-41)26-3-9-30(58)10-4-26)50-39-19-36(64)22-42-47(39)51(55(68-42)27-5-11-31(59)12-6-27)40-20-37(65)23-43-48(40)53(50)56(52)14-13-32(60)24-44(56)66-43/h1-23,44-45,49-55,57-59,61-65H,24H2/t44-,45+,49+,50+,51+,52-,53-,54-,55-,56?/m0/s1
InChIKey AFXRWPNKZJBQRJ-BSASOIPLSA-N
Mol Weight 906.9 g/mol
Molecular Formula C56H42O12
Exact Mass 906.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8G7hkXdquwO
Name SHOREAKETONE;MINOR-CONFORMER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H42O12
InChI InChI=1S/C56H42O12/c57-29-7-1-25(2-8-29)52-49(38-18-35(63)21-41-46(38)45(28-15-33(61)17-34(62)16-28)54(67-41)26-3-9-30(58)10-4-26)50-39-19-36(64)22-42-47(39)51(55(68-42)27-5-11-31(59)12-6-27)40-20-37(65)23-43-48(40)53(50)56(52)14-13-32(60)24-44(56)66-43/h1-23,44-45,49-55,57-59,61-65H,24H2/t44-,45+,49+,50+,51+,52-,53-,54-,55-,56?/m0/s1
InChIKey AFXRWPNKZJBQRJ-BSASOIPLSA-N
Literature Reference Author N.MUHAMMAD,L.B.DIN,I.SAHIDIN,S.F.HASMIN,S.F.HASHIM,N.IBRAHIM ,Z.ZAKARIA,W.A.YAACO
Literature Reference Citation MOLECULES,17,9043(2012)
Literature Reference DOI 10.3390/molecules17089043
Molecular Weight 906.942 g/mol
Sample ID 1349
Solvent ACETONE-D6