CHEBI:79918 - 3beta-Hydroxy-5alpha-pregnan-20-one acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta-Hydroxy-5alpha-pregnan-20-one acetate
ChEBI ID CHEBI:79918
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H36O3
Net Charge 0
Average Mass 360.53010
Monoisotopic Mass 360.26645
InChI InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey GFHOQCXDABGYAL-POBGKJHXSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
ChEBI Ontology
Outgoing 3beta-Hydroxy-5alpha-pregnan-20-one acetate (CHEBI:79918) is a steroid ester (CHEBI:47880)
Synonym Source
3beta-Acetoxy-5alpha-pregnan-20-one KEGG COMPOUND
Manual Xref Database
C15417 KEGG COMPOUND
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