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5-Allyl-3-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
SpectraBase Compound ID D6mgAfJdI0k
InChI InChI=1S/C21H22O6/c1-5-6-21-9-15(25-4)18(22)17(20(21)23)16(11(21)2)12-7-13(24-3)19-14(8-12)26-10-27-19/h5,7-9,11,16-17H,1,6,10H2,2-4H3/t11-,16+,17-,21-/m0/s1
InChIKey WHGDIXNCWBWUOY-ZKGWLNIXSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EE0Pn8ivhss
Name 5-Allyl-3-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methylbicyclo[3.2.1]oct-3-ene-2,8-dione
CAS Registry Number 65527-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-5-6-21-9-15(25-4)18(22)17(20(21)23)16(11(21)2)12-7-13(24-3)19-14(8-12)26-10-27-19/h5,7-9,11,16-17H,1,6,10H2,2-4H3/t11-,16+,17-,21-/m0/s1
InChIKey WHGDIXNCWBWUOY-ZKGWLNIXSA-N
Molecular Weight 370.401 g/mol
SMILES C[C@]1([C@](c2cc3c(c(c2)OC)OCO3)([C@]2(C(C(=C[C@]1(CC=C)C2=O)OC)=O)[H])[H])[H]
SPLASH splash10-00dl-3917000000-b3acdd8c72ca35a20e20
Source of Spectrum W5-0-0-0
Synonyms 3-Methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enyl-bicyclo[3.2.1]oct-3-ene-2,8-dione 5-Allyl-3-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-bicyclo[3.2.1]oct-3-ene-2,8-quinone Bicyclo[3.2.1]oct-3-ene-2,8-dione, 3-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-(2-propenyl)-, [1S-(6-endo,7-exo)]- 3-Methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
Wiley ID 1354310