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massarinin A
SpectraBase Compound ID Cvecv4WCaZR
InChI InChI=1S/C21H20O6/c1-11-9-15(24)16(13(10-22)19(11)26-4)18(25)17-14(23)6-5-12-7-8-21(2,3)27-20(12)17/h5-10,23-24H,1-4H3
InChIKey MEPDGCUSJWFRRO-UHFFFAOYSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMW8R90SIdr
Name massarinin A
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-11-9-15(24)16(13(10-22)19(11)26-4)18(25)17-14(23)6-5-12-7-8-21(2,3)27-20(12)17/h5-10,23-24H,1-4H3
InChIKey MEPDGCUSJWFRRO-UHFFFAOYSA-N
Instrument Name VG TRIO 1 quadrupole
Ionization Type EI
Literature Reference DOI 10.1021/np020342d
Molecular Weight 368.385 g/mol
Reported Formula C21H20O6
SMILES Oc1cc(c(c(c1C(c1c(ccc2C=CC(Oc12)(C)C)O)=O)C=O)OC)C
SPLASH splash10-03e0-0907000000-5fc232afcac22aba60b2
Source of Spectrum G4-66-78-6
Wiley ID 1881191