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> Main
CHEBI:85903 - 4-pregnen-3β,20α-diol
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ChEBI Ontology
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ChEBI Name
4-pregnen-3β,20α-diol
ChEBI ID
CHEBI:85903
ChEBI ASCII Name
4-pregnen-3beta,20alpha-diol
Definition
A C21-steroid in which a pregnane skeleton carries a β-hydroxy group at position 3, an α-hydroxy group at position 20 and a double bond between positions 4 and 5.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
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Formula
C21H34O2
Net Charge
0
Average Mass
318.49350
Monoisotopic Mass
318.25588
InChI
InChI=1S/C21H34O2/c1-
13(22)
17-
6-
7-
18-
16-
5-
4-
14-
12-
15(23)
8-
10-
20(14,2)
19(16)
9-
11-
21(17,18)
3/h12-
13,15-
19,22-
23H,4-
11H2,1-
3H3/t13-
,15-
,16-
,17+,18-
,19-
,20-
,21+/m0/s1
InChIKey
IBMZAHKIAAJREF-YZXCLFAISA-N
SMILES
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
4-pregnen-3β,20α-diol (
CHEBI:85903
)
has functional parent
progesterone (
CHEBI:17026
)
4-pregnen-3β,20α-diol (
CHEBI:85903
)
is a
20-hydroxy steroid (
CHEBI:36854
)
4-pregnen-3β,20α-diol (
CHEBI:85903
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
4-pregnen-3β,20α-diol (
CHEBI:85903
)
is a
C
21
-steroid (
CHEBI:61313
)
IUPAC Name
(20
S
)-pregn-4-ene-3β,20-diol
Synonyms
Sources
(3β,20
S
)-pregn-4-ene-3,20-diol
IUPAC
3β,20α-dihydroxypregn-4-ene
UniProt
Registry Number
Type
Source
6277111
Reaxys Registry Number
Reaxys
Citation
Type
Source
12732193
PubMed citation
SUBMITTER
Last Modified
17 January 2023