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2,9,6,23,30,37,44-Heptaoxooctacyclo[43.4.0(3,8).0(10,15),0(17,22).0(24,29).0(31,36).0(38,43)]nonatetraconta-1(45),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,31(36),32,34,38(43),39,41,46,48-henicisaene
SpectraBase Compound ID JTEVmBV90Z7
InChI InChI=1S/C49H28O7/c50-43-29-15-1-2-16-30(29)44(51)33-19-5-6-20-34(33)46(53)37-23-9-10-24-38(37)48(55)41-27-13-14-28-42(41)49(56)40-26-12-11-25-39(40)47(54)36-22-8-7-21-35(36)45(52)32-18-4-3-17-31(32)43/h1-28H
InChIKey LIABHJKPTVGQGI-UHFFFAOYSA-N
Mol Weight 728.8 g/mol
Molecular Formula C49H28O7
Exact Mass 728.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jpGIhEVcGH
Name 2,9,6,23,30,37,44-Heptaoxooctacyclo[43.4.0(3,8).0(10,15),0(17,22).0(24,29).0(31,36).0(38,43)]nonatetraconta-1(45),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,31(36),32,34,38(43),39,41,46,48-henicisaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H28O7
InChI InChI=1S/C49H28O7/c50-43-29-15-1-2-16-30(29)44(51)33-19-5-6-20-34(33)46(53)37-23-9-10-24-38(37)48(55)41-27-13-14-28-42(41)49(56)40-26-12-11-25-39(40)47(54)36-22-8-7-21-35(36)45(52)32-18-4-3-17-31(32)43/h1-28H
InChIKey LIABHJKPTVGQGI-UHFFFAOYSA-N
Molecular Weight 728.756 g/mol
SMILES C1(c2c(C(c3c(C(c4c(C(c5ccccc5C(c5c(C(c6c(C(c7c1cccc7)=O)cccc6)=O)cccc5)=O)=O)cccc4)=O)cccc3)=O)cccc2)=O
SPLASH splash10-03fr-0933000800-0004e3c2f32a165588c9
Source of Spectrum J-59-883-20
Synonyms 5H-heptabenzo[a,d,g,j,m,p,s]cyclohenicosene-5,10,15,20,25,30,35-heptone
Wiley ID 1415879