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3,4-trans-Diacetyl-1,2-cis-bis(7-methoxy-2-oxobenzopyran-8-yl)cyclobutane
SpectraBase Compound ID FYcJ4RaWyET
InChI InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3/t21-,22+,25-,26-/m0/s1
InChIKey WZTQDHIHDRTWFQ-DDOAZUFRSA-N
Mol Weight 488.49 g/mol
Molecular Formula C28H24O8
Exact Mass 488.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lsyq8JWkoWS
Name 3,4-trans-Diacetyl-1,2-cis-bis(7-methoxy-2-oxobenzopyran-8-yl)cyclobutane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O8
InChI InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3/t21-,22+,25-,26-/m0/s1
InChIKey WZTQDHIHDRTWFQ-DDOAZUFRSA-N
Molecular Weight 488.492 g/mol
SMILES c1([C@]2([C@](c3c4OC(=O)C=Cc4ccc3OC)([C@]([C@]2(C(=O)C)[H])(C(=O)C)[H])[H])[H])c2OC(=O)C=Cc2ccc1OC
SPLASH splash10-03di-0090100000-603d131c58145867a85f
Source of Spectrum E1-38-2107-3
Synonyms 8-[(1S,2S,3R,4S)-2,3-diacetyl-4-(7-methoxy-2-oxo-2H-chromen-8-yl)cyclobutyl]-7-methoxy-2H-chromen-2-one
Wiley ID 1518438