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19-Methyl-3,16,33,38,50-pentaoxatetradibenzo[35,36:52,1]bicyclo[50.2.1]dopentacontan-19-en-21-one
SpectraBase Compound ID 7lYL9urC36o
InChI InChI=1S/C58H90O6/c1-51-44-57(59)38-24-18-12-6-4-10-16-22-32-42-62-48-54-36-28-26-34-52(54)46-60-40-30-20-14-8-2-3-9-15-21-31-41-61-47-53-35-27-29-37-55(53)49-63-43-33-23-17-11-5-7-13-19-25-39-58-45-56(51)50-64-58/h26-29,34-37,44-45,50H,2-25,30-33,38-43,46-49H2,1H3/b51-44+
InChIKey ZJEXFMIFFSXCOH-SPFZYFMVSA-N
Mol Weight 883.4 g/mol
Molecular Formula C58H90O6
Exact Mass 882.673741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BehCUoJ5Iab
Name 19-Methyl-3,16,33,38,50-pentaoxatetradibenzo[35,36:52,1]bicyclo[50.2.1]dopentacontan-19-en-21-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C58H90O6
InChI InChI=1S/C58H90O6/c1-51-44-57(59)38-24-18-12-6-4-10-16-22-32-42-62-48-54-36-28-26-34-52(54)46-60-40-30-20-14-8-2-3-9-15-21-31-41-61-47-53-35-27-29-37-55(53)49-63-43-33-23-17-11-5-7-13-19-25-39-58-45-56(51)50-64-58/h26-29,34-37,44-45,50H,2-25,30-33,38-43,46-49H2,1H3/b51-44+
InChIKey ZJEXFMIFFSXCOH-SPFZYFMVSA-N
Molecular Weight 883.352 g/mol
SMILES c12\C(=C\C(=O)CCCCCCCCCCCOCc3c(COCCCCCCCCCCCCOCc4c(COCCCCCCCCCCCc(c2)oc1)cccc4)cccc3)C
SPLASH splash10-05rr-0904012020-f429508a4705cacd2c71
Source of Spectrum K1-2004-1934-26
Wiley ID 1560699