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(1R,4aR,10aR)-6-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID ACe7q8K5Qq0
InChI InChI=1S/C18H25NO2/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-6-12-5-7-13(19)11-14(12)17/h5,7,11,15H,4,6,8-10,19H2,1-3H3/t15-,17+,18-/m1/s1
InChIKey QTHRATUUUSVFGO-BPQIPLTHSA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jnv87KkRAf4
Name (1R,4aR,10aR)-6-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
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Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-6-12-5-7-13(19)11-14(12)17/h5,7,11,15H,4,6,8-10,19H2,1-3H3/t15-,17+,18-/m1/s1
InChIKey QTHRATUUUSVFGO-BPQIPLTHSA-N
Molecular Weight 287.403 g/mol
SMILES Nc1cc2[C@]3([C@]([C@@](C(=O)OC)(C)CCC3)(CCc2cc1)[H])C
SPLASH splash10-03dr-0090000000-80a1066e0455f0af33f1
Source of Spectrum KC-57-1795-5
Synonyms Methyl (1R,4aR,10aR)-6-amino-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1R,4aR,10aR)-6-azanyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Wiley ID 1623112