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(5R,8R)-5(10-9)abeo-6-Propyl-8-.beta.-hydroxymethylergoline
SpectraBase Compound ID 8d0QFfhundr
InChI InChI=1S/C18H22N2O/c1-2-6-20-10-14(11-21)15-7-12-4-3-5-16-18(12)13(9-19-16)8-17(15)20/h3-5,7,9,14,17,19,21H,2,6,8,10-11H2,1H3/t14-,17-/m1/s1
InChIKey DPADQZLNOPPVSD-RHSMWYFYSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YIdf6otTDx
Name (5R,8R)-5(10-9)abeo-6-Propyl-8-.beta.-hydroxymethylergoline
Alternate Name(s) (5R,8R)-5(10-9)abeo-6-Propyl-8-.beta.-hydroxymethyleryoline ((7R,9aR)-9-propyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O
InChI InChI=1S/C18H22N2O/c1-2-6-20-10-14(11-21)15-7-12-4-3-5-16-18(12)13(9-19-16)8-17(15)20/h3-5,7,9,14,17,19,21H,2,6,8,10-11H2,1H3/t14-,17-/m1/s1
InChIKey DPADQZLNOPPVSD-RHSMWYFYSA-N
Molecular Weight 282.387 g/mol
SMILES OC[C@]1(CN([C@]2(C1=Cc1c3c([nH]cc3C2)ccc1)[H])CCC)[H]
SPLASH splash10-0udi-0590000000-b6e30750c10b59743b6d
Source of Spectrum EMC-33-288-8
Wiley ID 1734392