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(5R,8R)-6-Methyl-8.beta.-hydroxymethyl-9.alpha.-hydroxyergoline
SpectraBase Compound ID HsfRQubUPN3
InChI InChI=1S/C16H20N2O2/c1-18-7-10(8-19)16(20)15-11-3-2-4-12-14(11)9(6-17-12)5-13(15)18/h2-4,6,10,13,15-17,19-20H,5,7-8H2,1H3/t10-,13-,15-,16-/m1/s1
InChIKey BVPBVIGKHNFPDB-YEHMFOAPSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg3gFpSZ9AJ
Name (5R,8R)-6-Methyl-8.beta.-hydroxymethyl-9.alpha.-hydroxyergoline
Alternate Name(s) [(8beta,9alpha)-9-hydroxy-6-methylergolin-8-yl]methanol (6aR,9R,10S,10aR)-9-(hydroxymethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-10-ol
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Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-18-7-10(8-19)16(20)15-11-3-2-4-12-14(11)9(6-17-12)5-13(15)18/h2-4,6,10,13,15-17,19-20H,5,7-8H2,1H3/t10-,13-,15-,16-/m1/s1
InChIKey BVPBVIGKHNFPDB-YEHMFOAPSA-N
Molecular Weight 272.348 g/mol
SMILES O[C@@]1([C@@](CO)(CN([C@]2([C@]1(c1c3c(C2)c[nH]c3ccc1)[H])[H])C)[H])[H]
SPLASH splash10-0kmi-0690000000-4e819537f59558358378
Source of Spectrum H1-45-1500-5
Wiley ID 815805