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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28135 - ponasterone A
Main
ChEBI Ontology
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ChEBI Name
ponasterone A
ChEBI ID
CHEBI:28135
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26210, CHEBI:8331
Supplier Information
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Formula
C27H44O6
Net Charge
0
Average Mass
464.63466
Monoisotopic Mass
464.31379
InChI
InChI=1S/C27H44O6/c1-
15(2)
6-
7-
23(31)
26(5,32)
22-
9-
11-
27(33)
17-
12-
19(28)
18-
13-
20(29)
21(30)
14-
24(18,3)
16(17)
8-
10-
25(22,27)
4/h12,15-
16,18,20-
23,29-
33H,6-
11,13-
14H2,1-
5H3/t16-
,18-
,20+,21-
,22-
,23+,24+,25+,26+,27+/m0/s1
InChIKey
PJYYBCXMCWDUAZ-JJJZTNILSA-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)
CCC(C)
C
ChEBI Ontology
Outgoing
ponasterone A (
CHEBI:28135
)
is a
14α-hydroxy steroid (
CHEBI:36861
)
ponasterone A (
CHEBI:28135
)
is a
2β-hydroxy steroid (
CHEBI:36859
)
ponasterone A (
CHEBI:28135
)
is a
20-hydroxy steroid (
CHEBI:36854
)
ponasterone A (
CHEBI:28135
)
is a
22-hydroxy steroid (
CHEBI:36863
)
ponasterone A (
CHEBI:28135
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
ponasterone A (
CHEBI:28135
)
is a
6-oxo steroid (
CHEBI:36883
)
ponasterone A (
CHEBI:28135
)
is a
phytoecdysteroid (
CHEBI:26118
)
IUPAC Name
(22
R
)-2β,3β,14,20,22-pentahydroxy-5β-cholest-7-en-6-one
Synonyms
Sources
25-Deoxycedysterone
ChemIDplus
Ponasterone A
KEGG COMPOUND
Manual Xrefs
Databases
C00003667
KNApSAcK
C08835
KEGG COMPOUND
P1A
PDBeChem
View more database links
Registry Numbers
Types
Sources
13408-56-5
CAS Registry Number
KEGG COMPOUND
2422988
Beilstein Registry Number
Beilstein
Last Modified
28 July 2014