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CHEBI:79638 - B-norcholest-4-en-3-one

ChEBI IDCHEBI:79638
ChEBI NameB-norcholest-4-en-3-one
Stars
DefinitionA 3-oxo-Δ4 steroid that is B-norcholesterol in which the 3β-hydroxy group has been converted to an oxo group and the double bond at position 5 has been moved to position 4.
Last Modified7 August 2020
DownloadsMolfile
FormulaC26H42O
Net Charge0
Average Mass370.621
Monoisotopic Mass370.32357
SMILES[H][C@@]12CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C26H42O/c1-17(2)7-6-8-18(3)22-9-10-23-21-16-19-15-20(27)11-13-25(19,4)24(21)12-14-26(22,23)5/h15,17-18,21-24H,6-14,16H2,1-5H3/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKeyGLUQJSAOAFURSM-GHSKVMHMSA-N
ChEBI Ontology
Outgoing Relation(s)
B-norcholest-4-en-3-one (CHEBI:79638) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name 
7-norcholest-4-en-3-one
Synonym  Source
(3R,3aR,5aS,5bR,10aS,10bS)-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluoren-8(1H)-oneIUPAC
Manual XrefsDatabases
C15119KEGG COMPOUND
Registry NumbersSources
CAS:2552-26-3ChemIDplus