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(1R,4aS)-1,4a-Dimethyl-7-phenylamino-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID C7OYbzmKwH2
InChI InChI=1S/C24H29NO2/c1-23-14-7-15-24(2,22(26)27-3)21(23)13-10-17-16-19(11-12-20(17)23)25-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,21,25H,7,10,13-15H2,1-3H3/t21?,23-,24-/m1/s1
InChIKey AVTDJVALEQPAMC-MXNGKVSJSA-N
Mol Weight 363.5 g/mol
Molecular Formula C24H29NO2
Exact Mass 363.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iH3hYGO6ss
Name (1R,4aS)-1,4a-Dimethyl-7-phenylamino-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester
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Formula C24H29NO2
InChI InChI=1S/C24H29NO2/c1-23-14-7-15-24(2,22(26)27-3)21(23)13-10-17-16-19(11-12-20(17)23)25-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,21,25H,7,10,13-15H2,1-3H3/t21?,23-,24-/m1/s1
InChIKey AVTDJVALEQPAMC-MXNGKVSJSA-N
Molecular Weight 363.501 g/mol
SMILES N(c1cc2c([C@@]3(C([C@@](C(=O)OC)(C)CCC3)CC2)C)cc1)c1ccccc1
SPLASH splash10-0a4r-9048000000-c6ea5b768f3f9d87e296
Source of Spectrum C3-33-883-2a
Synonyms Methyl 1,4a-dimethyl-7-(phenylamino)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate Methyl 13-(phenylamino)-(de-isopropyl)-dehydroabietate
Wiley ID 1696346