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5-Allyl-7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
SpectraBase Compound ID eS7afcwwQs
InChI InChI=1S/C20H22O5/c1-5-8-20-10-15(25-4)18(22)17(19(20)23)16(11(20)2)12-6-7-13(21)14(9-12)24-3/h5-7,9-11,16-17,21H,1,8H2,2-4H3/t11-,16+,17+,20-/m0/s1
InChIKey WDPDGHCWVZXPFP-YEWBLCAASA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgtqccCV7Iq
Name 5-Allyl-7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
Alternate Name(s) 3-methoxy-7-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-5-prop-2-enyl-bicyclo[3.2.1]oct-3-ene-2,8-dione 5-allyl-7-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-6-methyl-bicyclo[3.2.1]oct-3-ene-2,8-dione 5-allyl-7-(4-hydroxy-3-methoxy-phenyl)-3-methoxy-6-methyl-bicyclo[3.2.1]oct-3-ene-2,8-quinone 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione Bicyclo[3.2.1]oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-(2-propenyl)-, [1R-(6-exo,7-endo)]-
CAS Registry Number 65527-31-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-5-8-20-10-15(25-4)18(22)17(19(20)23)16(11(20)2)12-6-7-13(21)14(9-12)24-3/h5-7,9-11,16-17,21H,1,8H2,2-4H3/t11-,16+,17+,20-/m0/s1
InChIKey WDPDGHCWVZXPFP-YEWBLCAASA-N
Molecular Weight 342.391 g/mol
SMILES Oc1ccc([C@]2([C@@]([C@]3(C([C@]2(C(C(=C3)OC)=O)[H])=O)CC=C)(C)[H])[H])cc1OC
SPLASH splash10-0006-0209000000-9676ff84a5c6ee0612a7
Source of Spectrum J-58-5368-22
Wiley ID 1336673