CHEBI:134426 - 23-acetoxysoladulcidine

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ChEBI Name 23-acetoxysoladulcidine
ChEBI ID CHEBI:134426
Definition An organic heterohexacyclic compound that is soladulcidine carrying an acetoxy substituent at position 23
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H47NO4
Net Charge 0
Average Mass 473.689
Monoisotopic Mass 473.35051
InChI InChI=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
InChIKey HQJSCXYJQVACQR-DFNKNYFESA-N
SMILES [C@]12(O[C@]3(C[C@]4([C@@]5(CC[C@]6(C[C@@H](O)CC[C@]6(C)[C@]5(CC[C@@]4(C)[C@]3([C@@H]1C)[H])[H])[H])[H])[H])[H])C(C[C@H](CN2)C)OC(=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0031402 HMDB
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Last Modified
30 June 2017