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HRKGEJRQDVOWCR-OAHMJHDQSA-N
SpectraBase Compound ID Gspy4m4DCRr
InChI InChI=1S/C83H92O16/c1-3-88-81(84)83(82(85)89-4-2,49-29-31-51-90-79-77(96-59-69-45-25-11-26-46-69)75(94-57-67-41-21-9-22-42-67)73(92-55-65-37-17-7-18-38-65)71(98-79)61-86-53-63-33-13-5-14-34-63)50-30-32-52-91-80-78(97-60-70-47-27-12-28-48-70)76(95-58-68-43-23-10-24-44-68)74(93-56-66-39-19-8-20-40-66)72(99-80)62-87-54-64-35-15-6-16-36-64/h5-48,71-80H,3-4,49-62H2,1-2H3/b31-29+,32-30+/t71-,72+,73+,74-,75+,76-,77-,78+,79-,80+
InChIKey HRKGEJRQDVOWCR-OAHMJHDQSA-N
Mol Weight 1345.6 g/mol
Molecular Formula C83H92O16
Exact Mass 1344.638537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cg9QEqMravP
Name HRKGEJRQDVOWCR-OAHMJHDQSA-N
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H92O16
InChI InChI=1S/C83H92O16/c1-3-88-81(84)83(82(85)89-4-2,49-29-31-51-90-79-77(96-59-69-45-25-11-26-46-69)75(94-57-67-41-21-9-22-42-67)73(92-55-65-37-17-7-18-38-65)71(98-79)61-86-53-63-33-13-5-14-34-63)50-30-32-52-91-80-78(97-60-70-47-27-12-28-48-70)76(95-58-68-43-23-10-24-44-68)74(93-56-66-39-19-8-20-40-66)72(99-80)62-87-54-64-35-15-6-16-36-64/h5-48,71-80H,3-4,49-62H2,1-2H3/b31-29+,32-30+/t71-,72+,73+,74-,75+,76-,77-,78+,79-,80+
InChIKey HRKGEJRQDVOWCR-OAHMJHDQSA-N
Literature Reference Author B.LIU,S.K.DAS,R.ROY
Literature Reference Citation ORG.LETTERS,4,2723(2002)
Literature Reference DOI 10.1021/ol026235s
Molecular Weight 1345.634 g/mol
Sample ID 37473
Solvent CDCl3