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D-6-Methyl-8-(2,3,4-tri-O-acetyl-alpha-L-arabinopyranosyloxymethyl)-ergolin-I
SpectraBase Compound ID BHjPakhlCut
InChI InChI=1S/C27H34N2O8/c1-14(30)35-23-13-34-27(26(37-16(3)32)25(23)36-15(2)31)33-12-17-8-20-19-6-5-7-21-24(19)18(10-28-21)9-22(20)29(4)11-17/h5-7,10,17,20,22-23,25-28H,8-9,11-13H2,1-4H3/t17-,20-,22-,23+,25+,26-,27-/m1/s1
InChIKey ZWGAHGKNYSPUNK-KLPXWMKNSA-N
Mol Weight 514.6 g/mol
Molecular Formula C27H34N2O8
Exact Mass 514.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77CVYmYgSyx
Name D-6-Methyl-8-(2,3,4-tri-O-acetyl-alpha-L-arabinopyranosyloxymethyl)-ergolin-I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N2O8
InChI InChI=1S/C27H34N2O8/c1-14(30)35-23-13-34-27(26(37-16(3)32)25(23)36-15(2)31)33-12-17-8-20-19-6-5-7-21-24(19)18(10-28-21)9-22(20)29(4)11-17/h5-7,10,17,20,22-23,25-28H,8-9,11-13H2,1-4H3/t17-,20-,22-,23+,25+,26-,27-/m1/s1
InChIKey ZWGAHGKNYSPUNK-KLPXWMKNSA-N
Literature Reference DOI 10.1002/ardp.19843170702
Molecular Weight 514.575 g/mol
SMILES [nH]1cc2c3c(cccc13)[C@@]1([C@@](C2)(N(C[C@@](C1)(CO[C@]1([C@@]([C@]([C@](CO1)(OC(C)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])[H])[H])C)[H])[H]
SPLASH splash10-0btm-0960030000-a0a47addb608acda95c9
Source of Spectrum APC-317-582-12
Synonyms (2R,3R,4S,5S)-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-triyl triacetate
Wiley ID 1788172