CHEBI:34331 - 3-Deoxyestradiol

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ChEBI Name 3-Deoxyestradiol
ChEBI ID CHEBI:34331
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H24O
Net Charge 0
Average Mass 256.383
Monoisotopic Mass 256.18272
InChI InChI=1S/C18H24O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-17,19H,6-11H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey MUENRDYXOADTOC-ZBRFXRBCSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccccc34)[C@@H]1CC[C@@H]2O
ChEBI Ontology
Outgoing 3-Deoxyestradiol (CHEBI:34331) has parent hydride estrane (CHEBI:23966)
3-Deoxyestradiol (CHEBI:34331) is a steroid (CHEBI:35341)
Synonyms Sources
3-Deoxy-17beta-estradiol KEGG COMPOUND
3-Deoxyestradiol KEGG COMPOUND
Manual Xref Database
C14239 KEGG COMPOUND
View more database links
Registry Number Type Source
2529-64-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014