CHEBI:79672 - 4beta,5beta-Epoxypregnane-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4beta,5beta-Epoxypregnane-3,20-dione
ChEBI ID CHEBI:79672
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.46110
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19+,20+,21-/m0/s1
InChIKey AHUAGQAMTIBPDR-JFYOIKPISA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 4beta,5beta-Epoxypregnane-3,20-dione (CHEBI:79672) has parent hydride pregnane (CHEBI:8386)
4beta,5beta-Epoxypregnane-3,20-dione (CHEBI:79672) is a steroid (CHEBI:35341)
Manual Xref Database
C15154 KEGG COMPOUND
View more database links