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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:19793 - 20,26-dihydroxyecdysone
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ChEBI Ontology
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ChEBI Name
20,26-dihydroxyecdysone
ChEBI ID
CHEBI:19793
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O8
Net Charge
0
Average Mass
496.63350
Monoisotopic Mass
496.30362
InChI
InChI=1S/C27H44O8/c1-
23(33,14-
28)
8-
7-
22(32)
26(4,34)
21-
6-
10-
27(35)
16-
11-
18(29)
17-
12-
19(30)
20(31)
13-
24(17,2)
15(16)
5-
9-
25(21,27)
3/h11,15,17,19-
22,28,30-
35H,5-
10,12-
14H2,1-
4H3/t15-
,17-
,19+,20-
,21-
,22+,23?,24+,25+,26+,27+/m0/s1
InChIKey
RRCGNPRHZQPOOT-FFBSXHGNSA-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)
(O)
CO
ChEBI Ontology
Outgoing
20,26-dihydroxyecdysone (
CHEBI:19793
)
has functional parent
ecdysone (
CHEBI:16688
)
20,26-dihydroxyecdysone (
CHEBI:19793
)
is a
20-hydroxy steroid (
CHEBI:36854
)
20,26-dihydroxyecdysone (
CHEBI:19793
)
is a
26-hydroxy steroid (
CHEBI:36852
)
IUPAC Name
ergosta-5,24(28)-diene-3β,20,26-triol
Manual Xref
Database
C16500
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
19458-46-9
CAS Registry Number
KEGG COMPOUND
19458-46-9
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014