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

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ChEBI Name B-norcholest-4-en-3-one
ChEBI ID CHEBI:79638
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H42O
Net Charge 0
Average Mass 370.621
Monoisotopic Mass 370.32357
InChI InChI=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
InChIKey GLUQJSAOAFURSM-GHSKVMHMSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing 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)-one IUPAC
Manual Xref Database
C15119 KEGG COMPOUND
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Registry Number Type Source
2552-26-3 CAS Registry Number ChemIDplus
Last Modified
07 August 2020