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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25S)-5β-spirostan-3β-ol
ChEBI ID CHEBI:15578
ChEBI ASCII Name (25S)-5beta-spirostan-3beta-ol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10854, CHEBI:18537, CHEBI:178
Supplier Information
Download Molfile XML SDF
Formula C27H44O3
Net Charge 0
Average Mass 416.63646
Monoisotopic Mass 416.329
InChI InChI=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
InChIKey GMBQZIIUCVWOCD-WWASVFFGSA-N
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
ChEBI Ontology
Outgoing (25S)-5β-spirostan-3β-ol (CHEBI:15578) is a sapogenin (CHEBI:26606)
Incoming (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 Sources
(25S)-5beta-Spirostan-3beta-ol KEGG COMPOUND
(25S)-5beta-spirostan-3beta-ol ChEBI
(25S)-5β-spirostan-3β-ol UniProt
(3β,5β,25S)-spirostan-3-ol ChemIDplus
Parigenin ChemIDplus
Sarsasapogenin KEGG COMPOUND
Manual Xrefs Databases
C00003590 KNApSAcK
C03963 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
126-19-2 CAS Registry Number KEGG COMPOUND
126-19-2 CAS Registry Number ChemIDplus
91757 Beilstein Registry Number Beilstein
Last Modified
13 November 2017