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> Main
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-Δ
4
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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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-Δ
4
steroid (
CHEBI:47909
)
IUPAC Name
7-norcholest-4-en-3-one
Synonym
Source
(3
R
,3a
R
,5a
S
,5b
R
,10a
S
,10b
S
)-
3a,5b-
dimethyl-
3-
[(2
R
)-
6-
methylheptan-
2-
yl]-
2,3,3a,4,5,5a,5b,6,7,10,10a,10b-
dodecahydrocyclopenta[a]fluoren-
8(1
H
)-
one
IUPAC
Manual Xref
Database
C15119
KEGG COMPOUND
View more database links
Registry Number
Type
Source
2552-26-3
CAS Registry Number
ChemIDplus
Last Modified
07 August 2020