CHEBI:34340 - 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol
ChEBI ID CHEBI:34340
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.462
Monoisotopic Mass 314.22458
InChI InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey NVYBDSYHTNOJSQ-MJCUULBUSA-N
SMILES CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol (CHEBI:34340) has parent hydride pregnane (CHEBI:8386)
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol (CHEBI:34340) is a steroid (CHEBI:35341)
Synonyms Sources
17alpha-Ethyl-17beta-estradiol 3-methyl ether KEGG COMPOUND
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol KEGG COMPOUND
Manual Xref Database
C14661 KEGG COMPOUND
View more database links
Registry Number Type Source
17550-03-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014