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CHEBI:62849 - 16-estratetraen-3-ol

ChEBI IDCHEBI:62849
ChEBI Name16-estratetraen-3-ol
Stars
DefinitionA 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol.
Last Modified2 September 2011
SubmitterSteve
DownloadsMolfile
FormulaC18H22O
Net Charge0
Average Mass254.373
Monoisotopic Mass254.16707
SMILES[H][C@@]12CC=C[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h2,5,7,9,11,15-17,19H,3-4,6,8,10H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKeyCRMOMCHYBNOFIV-BDXSIMOUSA-N
ChEBI Ontology
Outgoing Relation(s)
16-estratetraen-3-ol (CHEBI:62849) has parent hydride androstane (CHEBI:35509)
16-estratetraen-3-ol (CHEBI:62849) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
estra-1,3,5(10),16-tetraen-3-ol
Synonym  Source
oestra-1,3,5(10),16-tetraen-3-olChEBI
Registry NumbersSources
Reaxys:3208540Reaxys
CAS:1150-90-9ChemIDplus
Citations