CHEBI:62849 - 16-estratetraen-3-ol

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ChEBI Name 16-estratetraen-3-ol
ChEBI ID CHEBI:62849
Definition A 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H22O
Net Charge 0
Average Mass 254.36670
Monoisotopic Mass 254.16707
InChI InChI=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
InChIKey CRMOMCHYBNOFIV-BDXSIMOUSA-N
SMILES [H][C@]12CC[C@]3(C)C=CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21
ChEBI Ontology
Outgoing 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-ol ChEBI
Registry Numbers Types Sources
1150-90-9 CAS Registry Number ChemIDplus
3208540 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11812141 PubMed citation Europe PMC
Last Modified
02 September 2011