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VIXVTKQJQPAXPR-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

VIXVTKQJQPAXPR-UHFFFAOYSA-N
SpectraBase Compound ID FHJFPkW5MAX
InChI InChI=1S/C68H60O16.C5H.Co/c1-9-77-61(69)49-33-50(62(70)78-10-2)42-26-18-37(17-25-41(42)49)57-58(38-19-27-43-44(28-20-38)52(64(72)80-12-4)34-51(43)63(71)79-11-3)60(40-23-31-47-48(32-24-40)56(68(76)84-16-8)36-55(47)67(75)83-15-7)59(57)39-21-29-45-46(30-22-39)54(66(74)82-14-6)35-53(45)65(73)81-13-5;1-2-4-5-3-1;/h17-36H,9-16H2,1-8H3;1H;
InChIKey VIXVTKQJQPAXPR-UHFFFAOYSA-N
Mol Weight 1253.2 g/mol
Molecular Formula C73H61CoO16
Exact Mass 1252.329155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECqipO2PRCL
Name VIXVTKQJQPAXPR-UHFFFAOYSA-N
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C73H61CoO16
InChI InChI=1S/C68H60O16.C5H.Co/c1-9-77-61(69)49-33-50(62(70)78-10-2)42-26-18-37(17-25-41(42)49)57-58(38-19-27-43-44(28-20-38)52(64(72)80-12-4)34-51(43)63(71)79-11-3)60(40-23-31-47-48(32-24-40)56(68(76)84-16-8)36-55(47)67(75)83-15-7)59(57)39-21-29-45-46(30-22-39)54(66(74)82-14-6)35-53(45)65(73)81-13-5;1-2-4-5-3-1;/h17-36H,9-16H2,1-8H3;1H;
InChIKey VIXVTKQJQPAXPR-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,T.OKUJIMA,N.MORITA,M.WATANABE,N.HARADA,K.IMAFU KU
Literature Reference Citation J.ORG.CHEM.,66,7090(2001)
Literature Reference DOI 10.1021/jo010540u
Molecular Weight 1253.211 g/mol
Solvent CDCl3
Source File Reference UWVN26559