EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:50782 - 11-deoxycorticosterone pivalate

Default Structure
ChEBI IDCHEBI:50782
ChEBI Name11-deoxycorticosterone pivalate
Stars
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(=O)COC(=O)C(C)(C)C
InChIInChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
InChIKeyVVOIQBFMTVCINR-WWMZEODYSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
11-deoxycorticosterone pivalate (CHEBI:50782) has functional parent corticosterone (CHEBI:16827)
11-deoxycorticosterone pivalate (CHEBI:50782) is a mineralocorticoid (CHEBI:25354)
11-deoxycorticosterone pivalate (CHEBI:50782) is a pivalate ester (CHEBI:50784)
IUPAC Name 
3,20-dioxopregn-4-en-21-yl 2,2-dimethylpropanoate
Synonyms  Source
11-Deoxycorticosterone, pivalateNIST Chemistry WebBook
Deoxycorticosterone pivalateChemIDplus
Deoxycorticosterone trimethylacetateChemIDplus
Deoxycortone pivalateChemIDplus
Deoxycortone TrimethylacetateDrugBank
Desoxycorticosterone pivalateChemIDplus
Manual XrefsDatabases
822DrugCentral
DB01134DrugBank
Registry NumbersSources
Beilstein:3174879Beilstein
CAS:808-48-0ChemIDplus
CAS:808-48-0NIST Chemistry WebBook