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5,16[1',2']-Benzeno-7,14-epoxyhexacene, 5,6,6a,7,14,14a,15,16-octahydro-, (6a.alpha.,7.beta.,14.beta.,14a.alpha.)-
SpectraBase Compound ID 4gmtbA8ArWp
InChI InChI=1S/C32H24O/c1-2-8-18-14-26-25(13-17(18)7-1)31-27-15-23-24(16-28(27)32(26)33-31)30-21-11-5-3-9-19(21)29(23)20-10-4-6-12-22(20)30/h1-14,27-32H,15-16H2/t27-,28+,29-,30+,31+,32-
InChIKey WTYZCVXGWYXNBV-SQMXJRCQSA-N
Mol Weight 424.5 g/mol
Molecular Formula C32H24O
Exact Mass 424.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IFIyDrrmjR
Name 5,16[1',2']-Benzeno-7,14-epoxyhexacene, 5,6,6a,7,14,14a,15,16-octahydro-, (6a.alpha.,7.beta.,14.beta.,14a.alpha.)-
CAS Registry Number 108947-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24O
InChI InChI=1S/C32H24O/c1-2-8-18-14-26-25(13-17(18)7-1)31-27-15-23-24(16-28(27)32(26)33-31)30-21-11-5-3-9-19(21)29(23)20-10-4-6-12-22(20)30/h1-14,27-32H,15-16H2/t27-,28+,29-,30+,31+,32-
InChIKey WTYZCVXGWYXNBV-SQMXJRCQSA-N
Molecular Weight 424.543 g/mol
SMILES C12=C([C@]3(c4c([C@@]1(c1c3cccc1)[H])cccc4)[H])C[C@@]1([C@]3(c4cc5ccccc5cc4[C@@]([C@@]1(C2)[H])(O3)[H])[H])[H]
SPLASH splash10-014i-0910000000-48e4ed0cf67888d4b392
Source of Spectrum J-52-3636-27
Synonyms (4R,5R,16S,17S)-33-oxanonacyclo[18.6.6.1(5,16).0(2,19).0(4,17).0(6,15).0(8,13).0(21,26).0(27,32)]tritriaconta-2(19),6(15),7,9,11,13,21,23,25,27,29,31-dodecaene
Wiley ID 1379574