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7,8-seco-para-ferruginone
SpectraBase Compound ID 3NrU8PlACxd
InChI InChI=1S/C20H28O3/c1-13(2)14-11-17(23)15(12-16(14)22)20(5)9-6-8-19(3,4)18(20)7-10-21/h10-13,18H,6-9H2,1-5H3/t18-,20+/m0/s1
InChIKey JCLGBJLXHLKJPT-AZUAARDMSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QgYSetaw3e
Name 7,8-seco-para-ferruginone
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-13(2)14-11-17(23)15(12-16(14)22)20(5)9-6-8-19(3,4)18(20)7-10-21/h10-13,18H,6-9H2,1-5H3/t18-,20+/m0/s1
InChIKey JCLGBJLXHLKJPT-AZUAARDMSA-N
Instrument Name MAT 711
Ionization Type EI
Literature Reference DOI 10.1021/np010561j
Molecular Weight 316.441 g/mol
Reported Formula C20H28O3
SMILES C1C[C@@](C2=CC(=O)C(C(C)C)=CC2=O)(C)[C@@](CC=O)(C(C)(C)C1)[H]
SPLASH splash10-00di-0091000000-107c4bcee5f1a84bc987
Source of Spectrum G4-65-1019-3
Thin-Layer Chromatography Rf = 0.3 (cyclohexane/EtOAc, 10:1)
Wiley ID 1883748