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ChEBI
> Main
CHEBI:38095 - diginatigenin
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ChEBI Ontology
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ChEBI Name
diginatigenin
ChEBI ID
CHEBI:38095
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H34O6
Net Charge
0
Average Mass
406.51246
Monoisotopic Mass
406.23554
InChI
InChI=1S/C23H34O6/c1-
21-
6-
5-
14(24)
8-
13(21)
3-
4-
15-
16(21)
9-
18(26)
22(2)
20(12-
7-
19(27)
29-
11-
12)
17(25)
10-
23(15,22)
28/h7,13-
18,20,24-
26,28H,3-
6,8-
11H2,1-
2H3/t13-
,14+,15-
,16+,17+,18-
,20+,21+,22-
,23+/m1/s1
InChIKey
DICIZKAHXOVVHI-BOYBCVSISA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@]
([H]
)
(C[C@@H]
(O)
[C@]
4(C)
[C@]
([H]
)
([C@@H]
(O)
C[C@]
34O)
C3=CC(=O)
OC3)
[C@@]
1(C)
CC[C@H]
(O)
C2
ChEBI Ontology
Outgoing
diginatigenin (
CHEBI:38095
)
has parent hydride
5β-cardanolide (
CHEBI:35542
)
diginatigenin (
CHEBI:38095
)
is a
12β-hydroxy steroid (
CHEBI:36847
)
diginatigenin (
CHEBI:38095
)
is a
14β-hydroxy steroid (
CHEBI:36862
)
diginatigenin (
CHEBI:38095
)
is a
16β-hydroxy steroid (
CHEBI:17354
)
diginatigenin (
CHEBI:38095
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
Incoming
diginatin (
CHEBI:27614
)
has functional parent
diginatigenin (
CHEBI:38095
)
IUPAC Name
3β,12β,14,16β-tetrahydroxy-5β-card-20(22)-enolide
Registry Number
Type
Source
1666888
Beilstein Registry Number
Beilstein
Last Modified
20 April 2007