CHEBI:79889 - 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
ChEBI ID CHEBI:79889
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H28O2
Net Charge 0
Average Mass 312.44580
Monoisotopic Mass 312.20893
InChI InChI=1S/C21H28O2/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/h4,6,8,13,17-19,22H,1,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey BFJGDRRSEQORFA-MJCUULBUSA-N
SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C=C)[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79889) has parent hydride pregnane (CHEBI:8386)
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79889) is a steroid (CHEBI:35341)
Synonym Source
17-Vinylestradiol 3-methyl ether KEGG COMPOUND
Manual Xref Database
C15388 KEGG COMPOUND
View more database links