CHEBI:31650 - Gestonorone caproate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gestonorone caproate
ChEBI ID CHEBI:31650
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C26H38O4
C26H38O4
Net Charge 0
Average Mass 414.579
Monoisotopic Mass 414.27701
InChI InChI=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
InChIKey XURCMZMFZXXQDJ-UKNJCJGYSA-N
SMILES O(C(CCCCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(CC4)=O)[H])[H])[H])[H]
ChEBI Ontology
Outgoing Gestonorone caproate (CHEBI:31650) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Gestonorone caproate KEGG COMPOUND
gestonorone capronate DrugCentral
gestronol caproate DrugCentral
gestronol hexanoate DrugCentral
Manual Xrefs Databases
3261 DrugCentral
D01159 KEGG DRUG
View more database links
Registry Number Type Source
1253-28-7 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017