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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:20714 - 6-deoxycathasterone
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ChEBI Ontology
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ChEBI Name
6-deoxycathasterone
ChEBI ID
CHEBI:20714
Definition
A 3β-hydroxy steroid that is cathasterone which is lacking the oxo substituent at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H50O2
Net Charge
0
Average Mass
418.69540
Monoisotopic Mass
418.38108
InChI
InChI=1S/C28H50O2/c1-
17(2)
18(3)
15-
26(30)
19(4)
23-
9-
10-
24-
22-
8-
7-
20-
16-
21(29)
11-
13-
27(20,5)
25(22)
12-
14-
28(23,24)
6/h17-
26,29-
30H,7-
16H2,1-
6H3/t18-
,19+,20+,21+,22+,23-
,24+,25+,26+,27+,28-
/m1/s1
InChIKey
ZHZKWZJLUNXOSN-YUZBOUAZSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3([H]
)
[C@]
4([H]
)
CC[C@]
([H]
)
([C@H]
(C)
[C@@H]
(O)
C[C@@H]
(C)
C(C)
C)
[C@@]
4(C)
CC[C@]
3([H]
)
[C@@]
1(C)
CC[C@H]
(O)
C2
ChEBI Ontology
Outgoing
6-deoxycathasterone (
CHEBI:20714
)
has functional parent
cathasterone (
CHEBI:23057
)
6-deoxycathasterone (
CHEBI:20714
)
has parent hydride
5α-campestane (
CHEBI:20640
)
6-deoxycathasterone (
CHEBI:20714
)
is a
(22
S
)-22-hydroxy C
28
-steroid (
CHEBI:188922
)
6-deoxycathasterone (
CHEBI:20714
)
is a
22-hydroxy steroid (
CHEBI:36863
)
6-deoxycathasterone (
CHEBI:20714
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
6-deoxycathasterone (
CHEBI:20714
)
is a
brassinosteroid (
CHEBI:22921
)
6-deoxycathasterone (
CHEBI:20714
)
is a
C
28
-steroid (
CHEBI:188921
)
IUPAC Name
(22S)-5α-campestane-3β,22-diol
Synonyms
Sources
6-Deoxocathasterone
LIPID MAPS
6-deoxycathasterone
UniProt
Manual Xrefs
Databases
C00007277
KNApSAcK
C15798
KEGG COMPOUND
CPD-712
MetaCyc
LMST01030124
LIPID MAPS
View more database links
Registry Number
Type
Source
7878139
Reaxys Registry Number
Reaxys
Last Modified
17 December 2021