EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:135718 - pentagestrone acetate

ChEBI IDCHEBI:135718
ChEBI Namepentagestrone acetate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILES[H][C@@]12CC=C3C=C(OC4CCCC4)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O
InChIInChI=1S/C28H40O4/c1-18(29)28(32-19(2)30)16-13-25-23-10-9-20-17-22(31-21-7-5-6-8-21)11-14-26(20,3)24(23)12-15-27(25,28)4/h9,17,21,23-25H,5-8,10-16H2,1-4H3/t23-,24+,25+,26+,27+,28+/m1/s1
InChIKeyNSRLWNNZHGRGJS-JVACCQEYSA-N
ChEBI Ontology
Outgoing Relation(s)
pentagestrone acetate (CHEBI:135718) is a steroid ester (CHEBI:47880)
Synonym  Source
gestovisDrugCentral
Manual XrefsDatabases
2089DrugCentral
Registry NumbersSources
CAS:1178-60-5DrugCentral