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CHEBI:79939 - Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate

ChEBI IDCHEBI:79939
ChEBI NameEstra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
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DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
SMILES[H][C@@]12C[C@@H](OC(C)=O)c3cc(OC(C)=O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3/t18-,19-,21+,22-,23+,24+/m1/s1
InChIKeyLMXGPAGGDXVARU-LSLXWZMWSA-N
ChEBI Ontology
Outgoing Relation(s)
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate (CHEBI:79939) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15440KEGG COMPOUND