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(1S,4aR,8aR)-8-formyl-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID LyWX6gUGYvD
InChI InChI=1S/C21H32O3/c1-14-7-8-16-19(2,15(14)13-22)12-9-17-20(16,3)10-6-11-21(17,4)18(23)24-5/h13,16-17H,6-12H2,1-5H3/t16?,17?,19-,20+,21-/m0/s1
InChIKey MWPYGOFMYROXPZ-CDTIHJJTSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8fbdk8Q5lc
Name (1S,4aR,8aR)-8-formyl-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-14-7-8-16-19(2,15(14)13-22)12-9-17-20(16,3)10-6-11-21(17,4)18(23)24-5/h13,16-17H,6-12H2,1-5H3/t16?,17?,19-,20+,21-/m0/s1
InChIKey MWPYGOFMYROXPZ-CDTIHJJTSA-N
Molecular Weight 332.484 g/mol
SMILES [C@]12(C([C@]3(CCC[C@@](C3CC2)(C(=O)OC)C)C)CCC(=C1C=O)C)C
SPLASH splash10-00e9-6915000000-58f7bf973b7100633552
Source of Spectrum F-53-14136-3
Synonyms Methyl (1S,4aR,8aR)-8-formyl-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aR,8aR)-8-methanoyl-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Wiley ID 804065