EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31650 - Gestonorone caproate

Default Structure
ChEBI IDCHEBI:31650
ChEBI NameGestonorone caproate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCCCC)C(C)=O
InChIInChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3/t20-,21+,22+,23-,25-,26-/m0/s1
InChIKeyXURCMZMFZXXQDJ-UKNJCJGYSA-N
ChEBI Ontology
Outgoing Relation(s)
Gestonorone caproate (CHEBI:31650) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Gestonorone caproateKEGG COMPOUND
gestonorone capronateDrugCentral
gestronol caproateDrugCentral
gestronol hexanoateDrugCentral
Manual XrefsDatabases
3261DrugCentral
D01159KEGG DRUG
Registry NumbersSources
CAS:1253-28-7KEGG COMPOUND