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CHEBI:42190 - (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL

Default Structure
ChEBI IDCHEBI:42190
ChEBI Name(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H30O2
Net Charge0
Average Mass326.480
Monoisotopic Mass326.22458
SMILES[H]Oc1c([H])c2c(c([H])c1/C([H])=C(\[H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]3([H])O[H])[C@@]1([H])C([H])([H])C2([H])[H]
InChIInChI=1S/C22H30O2/c1-3-4-5-15-12-18-14(13-20(15)23)6-7-17-16(18)10-11-22(2)19(17)8-9-21(22)24/h4-5,12-13,16-17,19,21,23-24H,3,6-11H2,1-2H3/b5-4+/t16-,17+,19+,21+,22+/m1/s1
InChIKeyANAMDWGJXBYJEB-SHKDNAECSA-N
ChEBI Ontology
Outgoing Relation(s)
(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (CHEBI:42190) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOLPDBeChem
(9beta,13alpha,17beta)-2-[(1Z)-but-1-en-1-yl]estra-1,3,5(10)-triene-3,17-diolPDBeChem
Manual XrefsDatabases
DRQPDBeChem