CHEBI:79650 - 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione
ChEBI ID CHEBI:79650
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/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey ZUTUSHGUIOPVJS-UICWUCEBSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C
ChEBI Ontology
Outgoing 11alpha,12alpha-Epoxy-5beta-pregnane-3,20-dione (CHEBI:79650) is a 3-oxo-5β-steroid (CHEBI:1624)
Manual Xref Database
C15132 KEGG COMPOUND
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Last Modified
26 April 2017