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(5S,8R)-5(10-9)abeo-6-Methyl-8.beta.-acetoxymethyl-9,10-didehydroergoline
SpectraBase Compound ID 8DlsWQAVW6V
InChI InChI=1S/C18H20N2O2/c1-11(21)22-10-14-9-20(2)17-7-13-8-19-16-5-3-4-12(18(13)16)6-15(14)17/h3-6,8,14,17,19H,7,9-10H2,1-2H3/t14-,17+/m1/s1
InChIKey PTCZJZRIQDDDMT-PBHICJAKSA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbkyBAck7t0
Name (5S,8R)-5(10-9)abeo-6-Methyl-8.beta.-acetoxymethyl-9,10-didehydroergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-11(21)22-10-14-9-20(2)17-7-13-8-19-16-5-3-4-12(18(13)16)6-15(14)17/h3-6,8,14,17,19H,7,9-10H2,1-2H3/t14-,17+/m1/s1
InChIKey PTCZJZRIQDDDMT-PBHICJAKSA-N
Molecular Weight 296.370 g/mol
SMILES [nH]1cc2C[C@]3(C(=Cc4c2c1ccc4)[C@](CN3C)(COC(=O)C)[H])[H]
SPLASH splash10-00di-0390000000-f52379ec7d61cd92224b
Source of Spectrum H1-45-1501-8
Synonyms Acetic acid (7R,9aS)-9-methyl-2,7,8,9,9a,10-hexahydro-pyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-ylmethyl ester [(7R,9aS)-9-methyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl]methyl acetate
Wiley ID 815801