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PYCNANTHULIGNENE_D;3,6-DIMETHOXY-4,5-METHYLENEDIOXY-2,7'-CYCLOLIGNA-7,7'-DIEN-4'-OL
SpectraBase Compound ID FocVMK0xmQW
InChI InChI=1S/C21H20O5/c1-11-9-15-17(16(12(11)2)13-5-7-14(22)8-6-13)19(24-4)21-20(18(15)23-3)25-10-26-21/h5-9,22H,10H2,1-4H3
InChIKey KUPJJHGRWKAFQW-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7H9D3l3dP7c
Name Pycnanthulignene D
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-11-9-15-17(16(12(11)2)13-5-7-14(22)8-6-13)19(24-4)21-20(18(15)23-3)25-10-26-21/h5-9,22H,10H2,1-4H3
InChIKey KUPJJHGRWKAFQW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np9007393
Molecular Weight 352.386 g/mol
Reported Formula C21H20O5
SMILES Oc1ccc(-c2c(c(cc3c(c4c(c(c23)OC)OCO4)OC)C)C)cc1
SPLASH splash10-0ue9-0019000000-53efb5044bbdefbbd6aa
Source of Spectrum G4-73-215-4
Wiley ID 1846416