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(8R,9S,13S,14S,17S)-4-amino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID 1D9bejVfZg5
InChI InChI=1S/C19H27NO2/c1-19-10-9-12-11-5-7-16(22-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,21H,3-4,6,8-10,20H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
InChIKey YNHMOPDDKJEIJS-PYEWSWHRSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QPNpqC7Ty0
Name (8R,9S,13S,14S,17S)-4-amino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CAS Registry Number 20810-75-7
Comments Less than 3 mono-isotopic peaks
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Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c1-19-10-9-12-11-5-7-16(22-2)18(20)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,21H,3-4,6,8-10,20H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
InChIKey YNHMOPDDKJEIJS-PYEWSWHRSA-N
Molecular Weight 301.430 g/mol
SMILES Nc1c(ccc2c1CC[C@]1([C@]3([C@@]([C@](CC3)(O)[H])(CC[C@]21[H])C)[H])[H])OC
SPLASH splash10-0udi-0009000000-bc0cf8afb31648e36527
Source of Spectrum J-49-2745-0
Synonyms (8R,9S,13S,14S,17S)-4-azanyl-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
Wiley ID 1304007