CHEBI:79648 - 6beta,19-Epoxypregn-4-ene-3,20-dione

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ChEBI Name 6beta,19-Epoxypregn-4-ene-3,20-dione
ChEBI ID CHEBI:79648
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28O3
Net Charge 0
Average Mass 328.44520
Monoisotopic Mass 328.20384
InChI InChI=1S/C21H28O3/c1-12(22)15-3-4-16-14-10-19-18-9-13(23)5-8-21(18,11-24-19)17(14)6-7-20(15,16)2/h9,14-17,19H,3-8,10-11H2,1-2H3/t14-,15+,16-,17-,19+,20+,21-/m0/s1
InChIKey OPWRVUYZIIWQJW-WEEZVYGMSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CCC(=O)C=C45)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 6beta,19-Epoxypregn-4-ene-3,20-dione (CHEBI:79648) is a steroid (CHEBI:35341)
Manual Xref Database
C15130 KEGG COMPOUND
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