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(5R, 8R,9R)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-ergooline
SpectraBase Compound ID 5UXB1F2ARYY
InChI InChI=1S/C16H20N2O/c1-18-8-12(9-19)13-5-10-3-2-4-14-16(10)11(7-17-14)6-15(13)18/h2-4,7,12-13,15,17,19H,5-6,8-9H2,1H3/t12-,13+,15+/m0/s1
InChIKey JPBVMRQVEKPELK-GZBFAFLISA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EW7pq2dBvUa
Name (5R, 8R,9R)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-ergooline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-18-8-12(9-19)13-5-10-3-2-4-14-16(10)11(7-17-14)6-15(13)18/h2-4,7,12-13,15,17,19H,5-6,8-9H2,1H3/t12-,13+,15+/m0/s1
InChIKey JPBVMRQVEKPELK-GZBFAFLISA-N
Molecular Weight 256.349 g/mol
SMILES [nH]1c2cccc3c2c(C[C@@]2([C@@]([C@](CO)(CN2C)[H])(C3)[H])[H])c1
SPLASH splash10-0006-1940000000-f42bfe29cb3f02535b1e
Source of Spectrum EMC-33-288-11
Synonyms (5R,8S,9R)-5(10-9)-abeo-6-Methyl-8.beta.-hydroxymethyl-ergooline ((6aR,7S,9aR)-9-methyl-2,6,6a,7,8,9,9a,10-octahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indol-7-yl)methanol
Wiley ID 1734461