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5,20[1',2']:7,18[1'',2'']:8,17[1''',2''']:10,15[1'''',2'''']-Tetrabenzenocycloocta[1,2-b:5,6-b']dianthracene, 5,7,8,10,15,17,18,20-octahydro-, (7.alpha.,8.beta.,17.beta.,18.alpha.)-
SpectraBase Compound ID D9LVoN6qv2A
InChI InChI=1S/C56H36/c1-2-14-30-29(13-1)49-31-15-3-4-16-32(31)50(30)42-26-46-45(25-41(42)49)53-37-21-9-10-22-38(37)54(46)56-40-24-12-11-23-39(40)55(53)47-27-43-44(28-48(47)56)52-35-19-7-5-17-33(35)51(43)34-18-6-8-20-36(34)52/h1-28,49-56H/t49-,50+,51-,52+,53-,54-,55-,56+/m1/s1
InChIKey XGHGHDNIJYNZSW-UIKIUMKZSA-N
Mol Weight 708.9 g/mol
Molecular Formula C56H36
Exact Mass 708.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWyEuQP6Imj
Name 5,20[1',2']:7,18[1'',2'']:8,17[1''',2''']:10,15[1'''',2'''']-Tetrabenzenocycloocta[1,2-b:5,6-b']dianthracene, 5,7,8,10,15,17,18,20-octahydro-, (7.alpha.,8.beta.,17.beta.,18.alpha.)-
CAS Registry Number 108947-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H36
InChI InChI=1S/C56H36/c1-2-14-30-29(13-1)49-31-15-3-4-16-32(31)50(30)42-26-46-45(25-41(42)49)53-37-21-9-10-22-38(37)54(46)56-40-24-12-11-23-39(40)55(53)47-27-43-44(28-48(47)56)52-35-19-7-5-17-33(35)51(43)34-18-6-8-20-36(34)52/h1-28,49-56H/t49-,50+,51-,52+,53-,54-,55-,56+/m1/s1
InChIKey XGHGHDNIJYNZSW-UIKIUMKZSA-N
Molecular Weight 708.904 g/mol
SMILES C12C3c4c(cc5C6c7ccccc7C(c5c4)c4ccccc64)C(C(c4c1cccc4)c1c2cc2C4c5ccccc5C(c2c1)c1ccccc41)c1c3cccc1
SPLASH splash10-0udi-0109000000-37ee6e28d72ee0244823
Source of Spectrum J-52-3636-26
Synonyms (1S,2S,17S,18S)-pentadecacyclo[16.14.6.6(2,17).6(6,13).6(22,29).0(3,16).0(5,14).0(7,12).0(19,32).0(21,30).0(23,28).0(33,38).0(39,44).0(45,50).0(51,56)]hexapentaconta-3(16),4,7,9,11,14,19(32),20,23,25,27,30,33,35,37,39,41,43,45,47 5,20[1',2']:7,18[1'',2'']:8,17[1''',2''']:10,15[1'''',2'''']-tetrabenzenocycloocta[1,2-b:5,6-b']dianthracene, 5,7,8,10,15,17,18,20-octahydro-, (7.alpha.,8.beta.,17.beta.,18.alpha.)-
Wiley ID 1415311