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BIKAVERIN
SpectraBase Compound ID JehgKTByxJv
InChI InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3
InChIKey ZOQMSOSJEWBMHP-UHFFFAOYSA-N
Mol Weight 382.32 g/mol
Molecular Formula C20H14O8
Exact Mass 382.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxYVjuAxmHm
Name 3,8-Dimethoxy-1-methyl-6,11-bis(oxidanyl)benzo[b]xanthene-7,10,12-trione
CAS Registry Number 33390-21-5
Comments Edited after expert review for air contamination - Original record with SpectrumID 1360480 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14O8
InChI InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3
InChIKey ZOQMSOSJEWBMHP-UHFFFAOYSA-N
Molecular Weight 382.324 g/mol
SMILES Oc1c2c(c(c3c1C(C=C(C3=O)OC)=O)O)Oc1cc(cc(c1C2=O)C)OC
SPLASH splash10-001i-0009000000-c16d32154c4ff805b18e
Source of Spectrum W5-1989-33118-32418
Synonyms 6,11-dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo[b]xanthene-7,10,12-trione 6,11-dihydroxy-3,8-dimethoxy-1-methyl-benzo[b]xanthene-7,10,12-trione 7,10-Dihydro-6,11-dihydroxy-3,8-dimethoxy-1-methyl-12H-benzo(b)xanthene-7,10,12-trione Bikaverin Lycopersin BRN 0358013 NSC 215139
Wiley ID 1820931