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CHEBI:31561 - Estradiol valerate

ChEBI IDCHEBI:31561
ChEBI NameEstradiol valerate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H32O3
Net Charge0
Average Mass356.506
Monoisotopic Mass356.23514
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCCC)CC[C@@]21[H]
InChIInChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
InChIKeyRSEPBGGWRJCQGY-RBRWEJTLSA-N
ChEBI Ontology
Outgoing Relation(s)
Estradiol valerate (CHEBI:31561) is a steroid ester (CHEBI:47880)
Synonyms  Source
Estradiol valerateKEGG COMPOUND
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femogexDrugCentral
estravalDrugCentral
neofollinDrugCentral
Manual XrefsDatabases
C12859KEGG COMPOUND
D01413KEGG DRUG
LSM-37162LINCS
1064DrugCentral
Registry NumbersSources
CAS:979-32-8KEGG COMPOUND