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D-6-Methyl-8-(alpha-D-glucopyranose-1,2-orthoacetate-methyl)-ergolin-I
SpectraBase Compound ID FKJe8F9ng9i
InChI InChI=1S/C24H32N2O7/c1-24(32-22-21(29)20(28)18(10-27)31-23(22)33-24)30-11-12-6-15-14-4-3-5-16-19(14)13(8-25-16)7-17(15)26(2)9-12/h3-5,8,12,15,17-18,20-23,25,27-29H,6-7,9-11H2,1-2H3/t12-,15-,17-,18-,20-,21+,22-,23-,24?/m1/s1
InChIKey JPQBSOMJVKLXHW-GKECMYMKSA-N
Mol Weight 460.5 g/mol
Molecular Formula C24H32N2O7
Exact Mass 460.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZZyTLon6e
Name D-6-Methyl-8-(alpha-D-glucopyranose-1,2-orthoacetate-methyl)-ergolin-I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O7
InChI InChI=1S/C24H32N2O7/c1-24(32-22-21(29)20(28)18(10-27)31-23(22)33-24)30-11-12-6-15-14-4-3-5-16-19(14)13(8-25-16)7-17(15)26(2)9-12/h3-5,8,12,15,17-18,20-23,25,27-29H,6-7,9-11H2,1-2H3/t12-,15-,17-,18-,20-,21+,22-,23-,24?/m1/s1
InChIKey JPQBSOMJVKLXHW-GKECMYMKSA-N
Literature Reference DOI 10.1002/ardp.19843170702
Molecular Weight 460.527 g/mol
SMILES [nH]1cc2C[C@@]3([C@](C[C@@](COC4(O[C@]5([C@](O[C@@]([C@]([C@@]5(O)[H])(O)[H])(CO)[H])(O4)[H])[H])C)(CN3C)[H])(c3c2c1ccc3)[H])[H]
SPLASH splash10-0a4m-0792300000-a318080cd6e57cc9d622
Source of Spectrum APC-317-581-7
Synonyms (3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-2-(((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methoxy)tetrahydro-5H-[1,3]dioxolo[4,5-b]pyran-6,7-diol
Wiley ID 1788177