CHEBI:17206 - 9,11α-epoxypregn-4-ene-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9,11α-epoxypregn-4-ene-3,20-dione
ChEBI ID CHEBI:17206
ChEBI ASCII Name 9,11alpha-epoxypregn-4-ene-3,20-dione
Definition An epoxy steroid that is pregn-4-ene-3,20-dione which has an epoxy group whose oxygen is attached to the 9α and 11α-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2331, CHEBI:12270, CHEBI:20818
Supplier Information
Download Molfile XML SDF
Formula C21H28O3
Net Charge 0
Average Mass 328.44522
Monoisotopic Mass 328.20384
InChI InChI=1S/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1
InChIKey FFMULFMLARAIRH-OUZKAEIWSA-N
SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])CCC2=CC(=O)CC[C@]12C
ChEBI Ontology
Outgoing 9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) has parent hydride pregnane (CHEBI:8386)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a 20-oxo steroid (CHEBI:36885)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a 3-oxo-Δ4 steroid (CHEBI:47909)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a C21-steroid (CHEBI:61313)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a epoxy steroid (CHEBI:145217)
IUPAC Name
9,11α-dihydrooxireno[2',3':9,11]pregn-4-ene-3,20-dione
Synonyms Sources
9,11alpha-Epoxypregn-4-ene-3,20-dione KEGG COMPOUND
9,11α-epoxypregn-4-ene-3,20-dione UniProt
Manual Xref Database
C04379 KEGG COMPOUND
View more database links
Registry Number Type Source
5763507 Beilstein Registry Number Beilstein
Last Modified
28 October 2019