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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate
ChEBI ID CHEBI:79939
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H30O6
Net Charge 0
Average Mass 414.49140
Monoisotopic Mass 414.20424
InChI InChI=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
InChIKey LMXGPAGGDXVARU-LSLXWZMWSA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(C)=O)c4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate (CHEBI:79939) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15440 KEGG COMPOUND
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