CHEBI:79478 - 17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate
ChEBI ID CHEBI:79478
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h5-6,13,16-19,24H,7-12H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-/m0/s1
InChIKey CGBFTMGKAPXWPF-YRCTWBNTSA-N
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3C=CC2=C1
ChEBI Ontology
Outgoing 17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate (CHEBI:79478) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14954 KEGG COMPOUND
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