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CHEBI:27709 - poststerone

ChEBI IDCHEBI:27709
ChEBI Namepoststerone
Stars
Secondary ChEBI IDsCHEBI:8344, CHEBI:26215
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILES[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])C(C)=O)C1=CC2=O
InChIInChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1
InChIKeyVNLQNGYIXVTQRR-NQPIQAHSSA-N
ChEBI Ontology
Outgoing Relation(s)
poststerone (CHEBI:27709) is a 14α-hydroxy steroid (CHEBI:36861)
poststerone (CHEBI:27709) is a 20-oxo steroid (CHEBI:36885)
poststerone (CHEBI:27709) is a 2β-hydroxy steroid (CHEBI:36859)
poststerone (CHEBI:27709) is a 3β-hydroxy steroid (CHEBI:36836)
poststerone (CHEBI:27709) is a 6-oxo steroid (CHEBI:36883)
poststerone (CHEBI:27709) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name 
2β,3β,14-trihydroxy-5β-pregn-7-ene-6,20-dione
Synonym  Source
PoststeroneKEGG COMPOUND
Manual XrefsDatabases
C08837KEGG COMPOUND
C00003669KNApSAcK
Registry NumbersSources
CAS:10162-99-9KEGG COMPOUND
CAS:10162-99-9ChemIDplus