6,7-didehydro-17beta-estradiol
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http://purl.obolibrary.org/obo/CHEBI_62850
A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 6 and 7 of 17beta-estradiol.
Term info
Label
6,7-didehydro-17beta-estradiol
Synonyms
- estra-1(10),2,4,6-tetraene-3,17beta-diol
Subsets
3_STAR
charge
0
formula
C18H22O2
has obo namespace
chebi_ontology
has related synonym
Estra-1,3,5(10),6-tetraene-3,17-diol, 6-dehydro-17beta-estradiol, oestra-1(10),2,4,6-tetraene-3,17beta-diol, 6-Dehydroestradiol, Estra-1,3,5(10),6-tetraen-3,17beta-diol
id
CHEBI:62850
inchi
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
inchikey
VVLCELUSWGWMSW-ZBRFXRBCSA-N
mass
270.36610
monoisotopicmass
270.16198
smiles
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C=Cc1cc(O)ccc21