CHEBI:79905 - 3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
ChEBI ID CHEBI:79905
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H34O5
Net Charge 0
Average Mass 390.51310
Monoisotopic Mass 390.24062
InChI InChI=1S/C23H34O5/c1-13(24)23(27)10-8-18-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)20(17)19(26)12-22(18,23)4/h15-18,20,27H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey RSBZZVJLNTXCGU-FEQOUAIHSA-N
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1
ChEBI Ontology
Outgoing 3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate (CHEBI:79905) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15404 KEGG COMPOUND
View more database links