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1-Ethyl-5-(2,4-dimethoxyphenyl)-7a-methyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one

View entire compound with spectra: 1 MS (GC)

1-Ethyl-5-(2,4-dimethoxyphenyl)-7a-methyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one
SpectraBase Compound ID 8RU14TK6PmX
InChI InChI=1S/C21H28O3/c1-5-21-11-9-16-18(19(21)22)15(8-10-20(16,21)2)14-7-6-13(23-3)12-17(14)24-4/h6-7,12,15-16,18H,5,8-11H2,1-4H3/t15-,16+,18+,20-,21+/m0/s1
InChIKey OFXWXPANGSJIAB-NHSHWBJMSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T7TzLfXTPm
Name 1-Ethyl-5-(2,4-dimethoxyphenyl)-7a-methyl-(1.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.)-octahydro-1,4-methano-1H-inden-8-one
CAS Registry Number 114506-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-5-21-11-9-16-18(19(21)22)15(8-10-20(16,21)2)14-7-6-13(23-3)12-17(14)24-4/h6-7,12,15-16,18H,5,8-11H2,1-4H3/t15-,16+,18+,20-,21+/m0/s1
InChIKey OFXWXPANGSJIAB-NHSHWBJMSA-N
Molecular Weight 328.452 g/mol
SMILES [C@@]12([C@@]3([C@]([H])(CC2)[C@](C1=O)([C@](c1c(cc(cc1)OC)OC)(CC3)[H])[H])C)CC
SPLASH splash10-004i-0905000000-8e31ff0f0da298b457ae
Source of Spectrum J-53-3182-9
Synonyms (1R,2S,5R,6S,8R)-5-(2,4-dimethoxyphenyl)-8-ethyl-2-methyltricyclo[4.4.0.0(2,8)]decan-7-one
Wiley ID 1326688