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CHEBI:27495 - inokosterone

ChEBI IDCHEBI:27495
ChEBI Nameinokosterone
Stars
Secondary ChEBI IDsCHEBI:5925, CHEBI:24831
Last Modified3 August 2014
DownloadsMolfile
FormulaC27H44O7
Net Charge0
Average Mass480.642
Monoisotopic Mass480.30870
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CC[C@@H](C)CO)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1
InChIKeyJQNVCUBPURTQPQ-GYVHUXHASA-N
ChEBI Ontology
Outgoing Relation(s)
inokosterone (CHEBI:27495) is a 14α-hydroxy steroid (CHEBI:36861)
inokosterone (CHEBI:27495) is a 20-hydroxy steroid (CHEBI:36854)
inokosterone (CHEBI:27495) is a 22-hydroxy steroid (CHEBI:36863)
inokosterone (CHEBI:27495) is a 26-hydroxy steroid (CHEBI:36852)
inokosterone (CHEBI:27495) is a 2β-hydroxy steroid (CHEBI:36859)
inokosterone (CHEBI:27495) is a 3β-hydroxy steroid (CHEBI:36836)
inokosterone (CHEBI:27495) is a 6-oxo steroid (CHEBI:36883)
inokosterone (CHEBI:27495) is a phytoecdysteroid (CHEBI:26118)
IUPAC Name 
(22R,25R)-2β,3β,14,20,22,26-hexahydroxy-5β-cholest-7-en-6-one
Synonym  Source
InokosteroneKEGG COMPOUND
Manual XrefsDatabases
C08819KEGG COMPOUND
C00003655KNApSAcK
C16992KEGG COMPOUND
Registry NumbersSources
Beilstein:7753493Beilstein
CAS:15130-85-5KEGG COMPOUND
CAS:15130-85-5ChemIDplus
CAS:23261-09-8KEGG COMPOUND