OntologieschebiclassesCHEBI:79941   
JSON document
3-(Allyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol
http://purl.obolibrary.org/obo/CHEBI_79941
Also appears inslm
Related Synonyms
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16beta,17beta-diol
class Information
charge

0

formula

C21H28O3

has_dbxref

KEGG:C15443

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19+,20+,21+/m1/s1

inchikey

GVKVGOGUDSJCLX-OFELHODLSA-N

in_subset

2_STAR

mass

328.44520

monoisotopicmass

328.20384

smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@H](O)[C@@H]2O

class Relations