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.beta.-Thebainone-A
SpectraBase Compound ID GAb8ugX3zaB
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14-,18+/m1/s1
InChIKey SLJDAVMWFVYEFI-LBTNJELSSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HykKdL3tOgN
Name .beta.-Thebainone-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14-,18+/m1/s1
InChIKey SLJDAVMWFVYEFI-LBTNJELSSA-N
Molecular Weight 299.370 g/mol
SMILES Oc1c2[C@]34[C@@]([C@@](Cc2ccc1OC)(N(CC4)C)[H])(C=CC(C3)=O)[H]
SPLASH splash10-03dj-0951000000-62565a7908af0a7014d1
Source of Spectrum C-114-5966-42
Synonyms (14alpha)-4-hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-one
Wiley ID 1302170