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KGIATYCAIYWYED-UHFFFAOYSA-N
SpectraBase Compound ID LC9c2MLv4xC
InChI InChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKey KGIATYCAIYWYED-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C24H26O7
Exact Mass 426.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoToTvQz2vI
Name Atrovirisidone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O7
InChI InChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKey KGIATYCAIYWYED-UHFFFAOYSA-N
Molecular Weight 426.465 g/mol
SMILES Oc1cc(cc2c1C(Oc1c(O2)c(c(c(c1CC=C(C)C)CC=C(C)C)O)OC)=O)O
SPLASH splash10-0fvu-5908500000-d22c998fa6ee3976bde6
Source of Spectrum G4-64-978-2
Synonyms 1-Methoxy-3,4-bis(3-methylbut-2-enyl)-2,7,9-tris(oxidanyl)benzo[b][1,4]benzodioxepin-6-one 2,7,9-trihydroxy-1-methoxy-3,4-bis(3-methylbut-2-enyl)-6-benzo[b][1,4]benzodioxepinone 2,7,9-trihydroxy-1-methoxy-3,4-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
Wiley ID 1609144