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(+/-)-rel-(4bS,5R,8aS,9S)-5-(Dimethylamino)-4b,5,6,2S,9,10-octahydro-3-methoxyphenanthrene-9-carbaldehyde
SpectraBase Compound ID 4XQ56d65o6D
InChI InChI=1S/C18H25NO2/c1-19(2)17-6-4-5-15-13(11-20)9-12-7-8-14(21-3)10-16(12)18(15)17/h7-8,10-11,13,15,17-18H,4-6,9H2,1-3H3/t13-,15-,17-,18+/m1/s1
InChIKey GEOCWXOKVHWQMQ-UWIFEVILSA-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 NIYGgF6qFF
Name (+/-)-rel-(4bS,5R,8aS,9S)-5-(Dimethylamino)-4b,5,6,2S,9,10-octahydro-3-methoxyphenanthrene-9-carbaldehyde
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Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-19(2)17-6-4-5-15-13(11-20)9-12-7-8-14(21-3)10-16(12)18(15)17/h7-8,10-11,13,15,17-18H,4-6,9H2,1-3H3/t13-,15-,17-,18+/m1/s1
InChIKey GEOCWXOKVHWQMQ-UWIFEVILSA-N
Literature Reference DOI 10.1002_1522-2675(20000906)83_9_2246
Molecular Weight 287.403 g/mol
SMILES [C@@]1(N(C)C)([C@]2([C@@]([C@@](C=O)(Cc3ccc(cc23)OC)[H])(CCC1)[H])[H])[H]
SPLASH splash10-0a5i-9150000000-1917dd482363e7fc2ffd
Source of Spectrum H-83-2261-13
Synonyms (4bS,5R,8aS,9S)-5-(dimethylamino)-3-methoxy-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-9-carbaldehyde
Wiley ID 1787520