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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27495 - inokosterone
Main
ChEBI Ontology
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Reactions
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ChEBI Name
inokosterone
ChEBI ID
CHEBI:27495
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5925, CHEBI:24831
Supplier Information
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Molfile
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Formula
C27H44O7
Net Charge
0
Average Mass
480.63406
Monoisotopic Mass
480.30870
InChI
InChI=1S/C27H44O7/c1-
15(14-
28)
5-
6-
23(32)
26(4,33)
22-
8-
10-
27(34)
17-
11-
19(29)
18-
12-
20(30)
21(31)
13-
24(18,2)
16(17)
7-
9-
25(22,27)
3/h11,15-
16,18,20-
23,28,30-
34H,5-
10,12-
14H2,1-
4H3/t15-
,16+,18+,20-
,21+,22+,23-
,24-
,25-
,26-
,27-
/m1/s1
InChIKey
JQNVCUBPURTQPQ-GYVHUXHASA-N
SMILES
[H]
[C@]
12CC[C@]
3(C)
[C@]
([H]
)
(CC[C@@]
3(O)
C1=CC(=O)
[C@]
1([H]
)
C[C@@H]
(O)
[C@@H]
(O)
C[C@]
21C)
[C@@]
(C)
(O)
[C@H]
(O)
CC[C@@H]
(C)
CO
ChEBI Ontology
Outgoing
inokosterone (
CHEBI:27495
)
is a
14α-hydroxy steroid (
CHEBI:36861
)
inokosterone (
CHEBI:27495
)
is a
2β-hydroxy steroid (
CHEBI:36859
)
inokosterone (
CHEBI:27495
)
is a
20-hydroxy steroid (
CHEBI:36854
)
inokosterone (
CHEBI:27495
)
is a
22-hydroxy steroid (
CHEBI:36863
)
inokosterone (
CHEBI:27495
)
is a
26-hydroxy steroid (
CHEBI:36852
)
inokosterone (
CHEBI:27495
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
inokosterone (
CHEBI:27495
)
is a
6-oxo steroid (
CHEBI:36883
)
inokosterone (
CHEBI:27495
)
is a
phytoecdysteroid (
CHEBI:26118
)
IUPAC Name
(22
R
,25
R
)-2β,3β,14,20,22,26-hexahydroxy-5β-cholest-7-en-6-one
Synonym
Source
Inokosterone
KEGG COMPOUND
Manual Xrefs
Databases
C00003655
KNApSAcK
C08819
KEGG COMPOUND
C16992
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
15130-85-5
CAS Registry Number
KEGG COMPOUND
15130-85-5
CAS Registry Number
ChemIDplus
23261-09-8
CAS Registry Number
KEGG COMPOUND
7753493
Beilstein Registry Number
Beilstein
Last Modified
04 August 2014