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CHEBI:178607 - Solagenin

Default Structure
ChEBI IDCHEBI:178607
ChEBI NameSolagenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-24,29H,5-14H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
InChIKeyKALHZODBSBGPIA-VIWRHHLTSA-N
ChEBI Ontology
Outgoing Relation(s)
Solagenin (CHEBI:178607) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,18S,19S)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
Manual XrefsDatabases
137290ChemSpider
LMST01080024LIPID MAPS
Registry NumbersSources
CAS:72165-06-1ChemIDplus