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CHEBI:134426 - 23-acetoxysoladulcidine

ChEBI IDCHEBI:134426
ChEBI Name23-acetoxysoladulcidine
Stars
DefinitionAn organic heterohexacyclic compound that is soladulcidine carrying an acetoxy substituent at position 23
Last Modified30 June 2017
SubmitterKeeva
DownloadsMolfile
FormulaC29H47NO4
Net Charge0
Average Mass473.698
Monoisotopic Mass473.35051
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(NC[C@H](C)CC5OC(C)=O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H47NO4/c1-16-12-25(33-18(3)31)29(30-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(32)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-26,30,32H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,25?,26+,27+,28-,29+/m1/s1
InChIKeyHQJSCXYJQVACQR-DFNKNYFESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
23-acetoxysoladulcidine (CHEBI:134426) has role mouse metabolite (CHEBI:75771)
23-acetoxysoladulcidine (CHEBI:134426) has role rat metabolite (CHEBI:86264)
23-acetoxysoladulcidine (CHEBI:134426) is a 3β-hydroxy steroid (CHEBI:36836)
23-acetoxysoladulcidine (CHEBI:134426) is a acetate ester (CHEBI:47622)
23-acetoxysoladulcidine (CHEBI:134426) is a azaspiro compound (CHEBI:35624)
23-acetoxysoladulcidine (CHEBI:134426) is a organic heterohexacyclic compound (CHEBI:51914)
23-acetoxysoladulcidine (CHEBI:134426) is a oxaspiro compound (CHEBI:37948)
IUPAC Name 
(3β,5α,13α,22α,25R)-3-hydroxyspirosolan-23-yl acetate
Manual XrefsDatabases
HMDB0031402HMDB