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D-6-Methyl-8-(beta-D-xylopyranosyloxymethyl)-ergolin-I

View entire compound with spectra: 1 MS (GC)

D-6-Methyl-8-(beta-D-xylopyranosyloxymethyl)-ergolin-I
SpectraBase Compound ID 982tCUF1bBQ
InChI InChI=1S/C21H28N2O5/c1-23-8-11(9-27-21-20(26)19(25)17(24)10-28-21)5-14-13-3-2-4-15-18(13)12(7-22-15)6-16(14)23/h2-4,7,11,14,16-17,19-22,24-26H,5-6,8-10H2,1H3/t11-,14-,16-,17-,19+,20-,21-/m1/s1
InChIKey CXVDYCGMBBMYLX-GWHYEYILSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SgNJtRjYQY
Name D-6-Methyl-8-(beta-D-xylopyranosyloxymethyl)-ergolin-I
Alternate Name(s) (2R,3R,4S,5R)-2-(((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methoxy)tetrahydro-2H-pyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-23-8-11(9-27-21-20(26)19(25)17(24)10-28-21)5-14-13-3-2-4-15-18(13)12(7-22-15)6-16(14)23/h2-4,7,11,14,16-17,19-22,24-26H,5-6,8-10H2,1H3/t11-,14-,16-,17-,19+,20-,21-/m1/s1
InChIKey CXVDYCGMBBMYLX-GWHYEYILSA-N
Molecular Weight 388.464 g/mol
SMILES [nH]1cc2C[C@@]3([C@](C[C@@](CO[C@@]4(OC[C@]([C@@]([C@]4(O)[H])(O)[H])(O)[H])[H])(CN3C)[H])(c3c2c1ccc3)[H])[H]
SPLASH splash10-000i-0987000000-6e6dc618f0a16aa1725e
Source of Spectrum APC-317-582-16
Wiley ID 1788175