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2,3-(4,5-Methylenedioxy-benzo)-4,5-(2,3,4-trimethoxy-benzo)-7-carbomethoxy-cyclooctanone diastereomer 1
SpectraBase Compound ID BjrAMuDrXqM
InChI InChI=1S/C22H22O8/c1-25-18-7-11-5-12(22(24)28-4)6-15(23)13-8-16-17(30-10-29-16)9-14(13)19(11)21(27-3)20(18)26-2/h7-9,12H,5-6,10H2,1-4H3
InChIKey AWKMMWNRUIDOBK-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0EAeoX3vYZ
Name Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-1,2,3-trimethoxy-8-oxo-, methyl ester, stereoisomer
CAS Registry Number 65310-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-18-7-11-5-12(22(24)28-4)6-15(23)13-8-16-17(30-10-29-16)9-14(13)19(11)21(27-3)20(18)26-2/h7-9,12H,5-6,10H2,1-4H3
InChIKey AWKMMWNRUIDOBK-UHFFFAOYSA-N
Molecular Weight 414.410 g/mol
SMILES c12-c3c(c(OC)c(cc3CC(CC(c1cc1c(c2)OCO1)=O)C(=O)OC)OC)OC
SPLASH splash10-03di-0013900000-0ee52c6d98ef2e09538e
Source of Spectrum KC-1977-1680-0
Synonyms Methyl 1,2,3-trimethoxy-8-oxo-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6-carboxylate Methyl 5,6,7,8-tetrahydro-1,2,3-trimethoxy-10,11-methyl-enedioxy-8-oxodibenzo[a,c]cyclo-octene-6-carboxylate Methyl-5,6,7,8-tetrahydro-1,2,3-trimethoxy-10,11-methylenedioxy-8-oxodibenzo[a,c]cyclooctene-6-carboxylate (isomer b)
Wiley ID 1375328