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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:20712 - 6-deoxocastasterone
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ChEBI Ontology
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ChEBI Name
6-deoxocastasterone
ChEBI ID
CHEBI:20712
Definition
A 3α-hydroxy steroid that is castasterone 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
C28H50O4
Net Charge
0
Average Mass
450.69420
Monoisotopic Mass
450.37091
InChI
InChI=1S/C28H50O4/c1-
15(2)
16(3)
25(31)
26(32)
17(4)
20-
9-
10-
21-
19-
8-
7-
18-
13-
23(29)
24(30)
14-
28(18,6)
22(19)
11-
12-
27(20,21)
5/h15-
26,29-
32H,7-
14H2,1-
6H3/t16-
,17-
,18-
,19-
,20+,21-
,22-
,23-
,24+,25+,26+,27+,28-
/m0/s1
InChIKey
VXBLCLVRWCLEOX-BFYSZXNBSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3([H]
)
[C@]
4([H]
)
CC[C@]
([H]
)
([C@H]
(C)
[C@@H]
(O)
[C@H]
(O)
[C@@H]
(C)
C(C)
C)
[C@@]
4(C)
CC[C@]
3([H]
)
[C@@]
1(C)
C[C@@H]
(O)
[C@@H]
(O)
C2
ChEBI Ontology
Outgoing
6-deoxocastasterone (
CHEBI:20712
)
has functional parent
castasterone (
CHEBI:23051
)
6-deoxocastasterone (
CHEBI:20712
)
has parent hydride
5α-campestane (
CHEBI:20640
)
6-deoxocastasterone (
CHEBI:20712
)
is a
2α-hydroxy steroid (
CHEBI:36858
)
6-deoxocastasterone (
CHEBI:20712
)
is a
22-hydroxy steroid (
CHEBI:36863
)
6-deoxocastasterone (
CHEBI:20712
)
is a
23-hydroxy steroid (
CHEBI:36866
)
6-deoxocastasterone (
CHEBI:20712
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
6-deoxocastasterone (
CHEBI:20712
)
is a
brassinosteroid (
CHEBI:22921
)
IUPAC Name
(22
R
,23
R
)-5α-campestane-2α,3α,22,23-tetraol
Synonym
Source
6-deoxocastasterone
UniProt
Manual Xrefs
Databases
C00000199
KNApSAcK
C15802
KEGG COMPOUND
CPD-723
MetaCyc
LMST01030127
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
5097016
Reaxys Registry Number
Reaxys
5097016
Beilstein Registry Number
Beilstein
Citations
Types
Sources
14502988
PubMed citation
Europe PMC
9927639
PubMed citation
Europe PMC
Last Modified
17 December 2021