CHEBI:79777 - 21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione
ChEBI ID CHEBI:79777
ChEBI ASCII Name 21-acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dione
Definition A steroid ester that is pregn-4-en-21-yl acetate substituted by oxo group at positions 3 and 20, a methyl group at position 6 and hydroxy groups at positions 11 and 17 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H34O6
Net Charge 0
Average Mass 418.52320
Monoisotopic Mass 418.23554
InChI InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h10,13,16-17,19,21,27,29H,5-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1
InChIKey ZWEFPCOQVDIOJD-LFYFAGGJSA-N
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
ChEBI Ontology
Outgoing 21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) has parent hydride pregnane (CHEBI:8386)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a 11β-hydroxy steroid (CHEBI:35346)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a 17α-hydroxy steroid (CHEBI:35342)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a 20-oxo steroid (CHEBI:36885)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a 3-oxo-Δ4 steroid (CHEBI:47909)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a steroid ester (CHEBI:47880)
21-acetoxy-11β,17-dihydroxy-6α-methylpregn-4-ene-3,20-dione (CHEBI:79777) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
11β,17-dihydroxy-6α-methyl-3,20-dioxopregn-4-en-21-yl acetate
Synonym Source
17-Hydroxy-6alpha-methylcorticosterone 21-acetate KEGG COMPOUND
Manual Xref Database
C15275 KEGG COMPOUND
View more database links
Registry Number Type Source
3112626 Reaxys Registry Number Reaxys
Last Modified
06 February 2018