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7,8-didehydro-17beta-estradiol

Go to external page http://purl.obolibrary.org/obo/CHEBI_62851

A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol.

Term info

Label

7,8-didehydro-17beta-estradiol

Synonyms
  • estra-1(10),2,4,7-tetraene-3,17beta-diol
database cross reference
Subsets

3_STAR

IUPAC NAME
estra-1(10),2,4,7-tetraene-3,17beta-diol [ IUPAC ]

charge

0

formula

C18H22O2

has obo namespace

chebi_ontology

has related synonym

Estra-1,3,5(10),7-tetraene-3,17beta-diol, 17beta-Dihydroequilin, beta-Dihydroequilin, 7-dehydro-17beta-estradiol

id

CHEBI:62851

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/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1

inchikey

NLLMJANWPUQQTA-UBDQQSCGSA-N

mass

270.36610

monoisotopicmass

270.16198

smiles

[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])C1=CCc1cc(O)ccc21