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(+-)-8.beta.,9.alpha.-Dicarboethoxy-10-.alpha.-hydroxyergoline(5.beta.-H)
SpectraBase Compound ID 41em8OATc6O
InChI InChI=1S/C21H26N2O5/c1-4-27-19(24)13-11-23(3)16-9-12-10-22-15-8-6-7-14(17(12)15)21(16,26)18(13)20(25)28-5-2/h6-8,10,13,16,18,22,26H,4-5,9,11H2,1-3H3/t13-,16+,18-,21-/m0/s1
InChIKey LYKNLOSHIGLGRZ-ZOOISWSASA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0fux05P0ap
Name (+-)-8.beta.,9.alpha.-Dicarboethoxy-10-.alpha.-hydroxyergoline(5.beta.-H)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-4-27-19(24)13-11-23(3)16-9-12-10-22-15-8-6-7-14(17(12)15)21(16,26)18(13)20(25)28-5-2/h6-8,10,13,16,18,22,26H,4-5,9,11H2,1-3H3/t13-,16+,18-,21-/m0/s1
InChIKey LYKNLOSHIGLGRZ-ZOOISWSASA-N
Molecular Weight 386.448 g/mol
SMILES [nH]1cc2C[C@]3(N(C[C@@]([C@]([C@@]3(c3c2c1ccc3)O)(C(=O)OCC)[H])(C(=O)OCC)[H])C)[H]
SPLASH splash10-014i-0092000000-45ebc9e9dc13b382ace5
Source of Spectrum O1-60-313-5
Synonyms Diethyl (6aR,9R,10R,10aS)-10a-hydroxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9,10-dicarboxylate Diethyl (6aR,9R,10R,10aS)-7-methyl-10a-oxidanyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9,10-dicarboxylate
Wiley ID 1591955