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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-1-(2-oxoethyl)-, methyl ester, (1.alpha.,4a.alpha.,10a.beta.)-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-1-(2-oxoethyl)-, methyl ester, (1.alpha.,4a.alpha.,10a.beta.)-
SpectraBase Compound ID C3TD2ZqRuJ
InChI InChI=1S/C19H24O3/c1-18-10-5-11-19(12-13-20,17(21)22-2)16(18)9-8-14-6-3-4-7-15(14)18/h3-4,6-7,13,16H,5,8-12H2,1-2H3/t16-,18-,19-/m0/s1
InChIKey MCVDMZIAXXLNQR-WDSOQIARSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CXbqjCYGRb
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-4a-methyl-1-(2-oxoethyl)-, methyl ester, (1.alpha.,4a.alpha.,10a.beta.)-
CAS Registry Number 56143-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-18-10-5-11-19(12-13-20,17(21)22-2)16(18)9-8-14-6-3-4-7-15(14)18/h3-4,6-7,13,16H,5,8-12H2,1-2H3/t16-,18-,19-/m0/s1
InChIKey MCVDMZIAXXLNQR-WDSOQIARSA-N
Molecular Weight 300.398 g/mol
SMILES [C@]12([C@@]([C@@](C(=O)OC)(CC=O)CCC2)(CCc2c1cccc2)[H])C
SPLASH splash10-0006-1930000000-42c4f95495be2fbf7e9c
Source of Spectrum C-97-2231-0
Synonyms .beta.-carbomethoxy-4a.beta.-methyl-1.alpha.-(2'-oxoethyl)-10a.alpha.-H-1,2,3-4,4a,9,10,10a-octahydrophenanthrene Methyl (1S,4aR,10aS)-4a-methyl-1-(2-oxoethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
Wiley ID 1303222