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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:19804 - 22-deoxy-20,21-dihydroxyecdysone
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ChEBI Ontology
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ChEBI Name
22-deoxy-20,21-dihydroxyecdysone
ChEBI ID
CHEBI:19804
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O7
Net Charge
0
Average Mass
480.63406
Monoisotopic Mass
480.30870
InChI
InChI=1S/C27H44O7/c1-
23(2,32)
8-
5-
9-
26(33,15-
28)
22-
7-
11-
27(34)
17-
12-
19(29)
18-
13-
20(30)
21(31)
14-
24(18,3)
16(17)
6-
10-
25(22,27)
4/h12,16,18,20-
22,28,30-
34H,5-
11,13-
15H2,1-
4H3/t16-
,18-
,20+,21-
,22-
,24+,25+,26+,27+/m0/s1
InChIKey
ICVFXEQYDYKIJU-VOCVGKOUSA-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@]
(O)
(CO)
CCCC(C)
(C)
O
ChEBI Ontology
Outgoing
22-deoxy-20,21-dihydroxyecdysone (
CHEBI:19804
)
has functional parent
ecdysone (
CHEBI:16688
)
22-deoxy-20,21-dihydroxyecdysone (
CHEBI:19804
)
is a
20-hydroxy steroid (
CHEBI:36854
)
22-deoxy-20,21-dihydroxyecdysone (
CHEBI:19804
)
is a
21-hydroxy steroid (
CHEBI:35344
)
IUPAC Name
2β,3β,14,20,21,25-hexahydroxy-5β-cholest-7-en-6-one
Last Modified
10 January 2008