CHEBI:79406 - 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
ChEBI ID CHEBI:79406
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H36O
Net Charge 0
Average Mass 352.55270
Monoisotopic Mass 352.27662
InChI InChI=1S/C25H36O/c1-23-13-10-18(17-6-4-5-7-17)16-19(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h4-7,19-22,26H,8-16H2,1-3H3/t19-,20+,21-,22-,23-,24-,25-/m0/s1
InChIKey SIECXYXJFIDLDH-JNFBOQJPSA-N
SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)=C1C=CC=C1
ChEBI Ontology
Outgoing 17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol (CHEBI:79406) is a androstanoid (CHEBI:50402)
Manual Xref Database
C14879 KEGG COMPOUND
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