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BMXOEQAGFWGJDA-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR

BMXOEQAGFWGJDA-UHFFFAOYSA-N
SpectraBase Compound ID D7IiSMv9vEk
InChI InChI=1S/C59H82N2O6/c1-15-17-22-64-52-38-24-42-32-48(58(9,10)11)34-44-26-40-30-47(57(6,7)8)31-41(53(40)65-23-18-16-2)27-45-35-49(59(12,13)14)33-43(25-39(52)29-46(28-38)56(3,4)5)55(45)67-37-51(63)61-21-19-20-60-50(62)36-66-54(42)44/h28-35H,15-27,36-37H2,1-14H3,(H,60,62)(H,61,63)
InChIKey BMXOEQAGFWGJDA-UHFFFAOYSA-N
Mol Weight 915.3 g/mol
Molecular Formula C59H82N2O6
Exact Mass 914.617288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID egPoCVnYtI
Name ISOMER_1
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H82N2O6
InChI InChI=1S/C59H82N2O6/c1-15-17-22-64-52-38-24-42-32-48(58(9,10)11)34-44-26-40-30-47(57(6,7)8)31-41(53(40)65-23-18-16-2)27-45-35-49(59(12,13)14)33-43(25-39(52)29-46(28-38)56(3,4)5)55(45)67-37-51(63)61-21-19-20-60-50(62)36-66-54(42)44/h28-35H,15-27,36-37H2,1-14H3,(H,60,62)(H,61,63)
InChIKey BMXOEQAGFWGJDA-UHFFFAOYSA-N
Literature Reference Author F.BENEVELLI,J.KLINOWSKI,I.BITTER,A.GRUEN,B.BALAZS,G.TOTH
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1187(2002)
Literature Reference DOI 10.1039/b110978m
Molecular Weight 915.310 g/mol
Solvent SOLID-STATE
Source File Reference UWMZ22249