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(5R, 8R,9S)-5(l0-9)abeo-6-methyl-8.beta.-methyl-ergoline
SpectraBase Compound ID 6HFpekbjbm4
InChI InChI=1S/C16H20N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15+/m0/s1
InChIKey BAFYRMCNVDOOHT-VZJVUDMVSA-N
Mol Weight 240.35 g/mol
Molecular Formula C16H20N2
Exact Mass 240.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vA1OQQA8dg
Name (5R, 8R,9S)-5(l0-9)abeo-6-methyl-8.beta.-methyl-ergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2
InChI InChI=1S/C16H20N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15+/m0/s1
InChIKey BAFYRMCNVDOOHT-VZJVUDMVSA-N
Molecular Weight 240.350 g/mol
SMILES [nH]1c2c3c(C[C@]4([C@](CN([C@@]4(Cc3c1)[H])C)(C)[H])[H])ccc2
SPLASH splash10-0006-7590000000-e449fca4e67c7fa8c43c
Source of Spectrum EMC-33-290-21
Synonyms (5R,8R,9S)-5(10-9)abeo-6-methyl-8.beta.-methyl-ergoline (6aS,7R,9aR)-7,9-dimethyl-2,6,6a,7,8,9,9a,10-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
Wiley ID 1734452