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CHEBI:5633 - Hecogenin

Default Structure
ChEBI IDCHEBI:5633
ChEBI NameHecogenin
Stars
Last Modified24 February 2022
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC(=O)[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/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
InChIKeyQOLRLLFJMZLYQJ-LOBDNJQFSA-N
ChEBI Ontology
Outgoing Relation(s)
Hecogenin (CHEBI:5633) is a triterpenoid (CHEBI:36615)
Synonym  Source
HecogeninKEGG COMPOUND
Manual XrefsDatabases
C00003580KNApSAcK
C08902KEGG COMPOUND
Registry NumbersSources
CAS:467-55-0KEGG COMPOUND