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CHEBI:15578 - (25S)-5β-spirostan-3β-ol

ChEBI IDCHEBI:15578
ChEBI Name(25S)-5β-spirostan-3β-ol
Stars
ASCII Name(25S)-5beta-spirostan-3beta-ol
Secondary ChEBI IDsCHEBI:178, CHEBI:10854, CHEBI:18537
Last Modified13 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKeyGMBQZIIUCVWOCD-WWASVFFGSA-N
ChEBI Ontology
Outgoing Relation(s)
(25S)-5β-spirostan-3β-ol (CHEBI:15578) is a sapogenin (CHEBI:26606)
Incoming Relation(s)
(25S)-5β-spirostan-3β-yl β-D-glucoside (CHEBI:15579) has functional parent (25S)-5β-spirostan-3β-ol (CHEBI:15578)
asparagoside F (CHEBI:134508) has functional parent (25S)-5β-spirostan-3β-ol (CHEBI:15578)
IUPAC Name 
(25S)-5β-spirostan-3β-ol
Synonyms  Source
(25S)-5beta-Spirostan-3beta-olKEGG COMPOUND
SarsasapogeninKEGG COMPOUND
(25S)-5beta-spirostan-3beta-olChEBI
(3β,5β,25S)-spirostan-3-olChemIDplus
ParigeninChemIDplus
UniProt Name  Source
(25S)-5β-spirostan-3β-olUniProt
Manual XrefsDatabases
C03963KEGG COMPOUND
C00003590KNApSAcK
Registry NumbersSources
Beilstein:91757Beilstein
CAS:126-19-2KEGG COMPOUND
CAS:126-19-2ChemIDplus