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CHEBI:29012 - cyasterone

ChEBI IDCHEBI:29012
ChEBI Namecyasterone
Stars
Secondary ChEBI IDsCHEBI:3984, CHEBI:23440
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H44O8
Net Charge0
Average Mass520.663
Monoisotopic Mass520.30362
SMILES[H][C@]1(C[C@@H](O)[C@](C)(O)[C@@]2([H])CC[C@@]3(O)C4=CC(=O)[C@]5([H])C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]23C)[C@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChIKeyNEFYSBQJYCICOG-YSEUJXISSA-N
ChEBI Ontology
Outgoing Relation(s)
cyasterone (CHEBI:29012) is a 14α-hydroxy steroid (CHEBI:36861)
cyasterone (CHEBI:29012) is a 20-hydroxy steroid (CHEBI:36854)
cyasterone (CHEBI:29012) is a 21-hydroxy steroid (CHEBI:35344)
cyasterone (CHEBI:29012) is a 2β-hydroxy steroid (CHEBI:36859)
cyasterone (CHEBI:29012) is a 3β-hydroxy steroid (CHEBI:36836)
cyasterone (CHEBI:29012) is a 6-oxo steroid (CHEBI:36883)
cyasterone (CHEBI:29012) is a phytoecdysteroid (CHEBI:26118)
cyasterone (CHEBI:29012) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(22R,24S,25S,28R)-2β,3β,14,20,22-pentahydroxy-26,28-epoxy-5β-stigmast-7-ene-6,26-dione
Synonyms  Source
CyasteroneKEGG COMPOUND
CyasteronChemIDplus
Manual XrefsDatabases
C08816KEGG COMPOUND
C00003649KNApSAcK
Registry NumbersSources
CAS:17086-76-9KEGG COMPOUND
CAS:17086-76-9ChemIDplus