CHEBI:50782 - 11-deoxycorticosterone pivalate

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ChEBI Name 11-deoxycorticosterone pivalate
ChEBI ID CHEBI:50782
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H38O4
Net Charge 0
Average Mass 414.57752
Monoisotopic Mass 414.27701
InChI InChI=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
InChIKey VVOIQBFMTVCINR-WWMZEODYSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
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ChEBI Ontology
Outgoing 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 Sources
11-Deoxycorticosterone, pivalate NIST Chemistry WebBook
Deoxycorticosterone pivalate ChemIDplus
Deoxycorticosterone trimethylacetate ChemIDplus
Deoxycortone pivalate ChemIDplus
Deoxycortone Trimethylacetate DrugBank
Desoxycorticosterone pivalate ChemIDplus
Desoxycorticosterone Trimethylacetate DrugBank
Desoxycortone Pivalate DrugBank
DOCP DrugBank
DTMA DrugBank
Manual Xrefs Databases
822 DrugCentral
DB01134 DrugBank
View more database links
Registry Numbers Types Sources
3174879 Beilstein Registry Number Beilstein
808-48-0 CAS Registry Number NIST Chemistry WebBook
808-48-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017