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(5R, 8R)-5(10-9)-abeo-6-Methyl-8.beta.-methyl-9,10-didehydroergooline
SpectraBase Compound ID 7qajnFqwjfC
InChI InChI=1S/C16H18N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,10,15,17H,7,9H2,1-2H3/t10-,15+/m0/s1
InChIKey LECDUZYTCNGWOZ-ZUZCIYMTSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GydVGd9MSm5
Name (5R, 8R)-5(10-9)-abeo-6-Methyl-8.beta.-methyl-9,10-didehydroergooline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,10,15,17H,7,9H2,1-2H3/t10-,15+/m0/s1
InChIKey LECDUZYTCNGWOZ-ZUZCIYMTSA-N
Molecular Weight 238.334 g/mol
SMILES [nH]1c2c3c(C=C4[C@@](Cc3c1)(N(C[C@@]4(C)[H])C)[H])ccc2
SPLASH splash10-0079-0390000000-992581285f35c17a2371
Source of Spectrum EMC-33-289-12
Synonyms (5R,8R)-5(10-9)-abeo-6-Methyl-8.beta.-methyl-9,10-didehydroergoline (7R,9aR)-7,9-dimethyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
Wiley ID 1734459