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> Main
CHEBI:42219 - digitoxigenin
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ChEBI Name
digitoxigenin
ChEBI ID
CHEBI:42219
Definition
A 5β-cardenolide that is 5β-cardanolide with hydroxy substituents at the 3β- and 14β-positions and double bond unsaturation at C(20)-C(22).
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:38073, CHEBI:42214
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Formula
C23H34O4
Net Charge
0
Average Mass
374.51366
Monoisotopic Mass
374.24571
InChI
InChI=1S/C23H34O4/c1-
21-
8-
5-
16(24)
12-
15(21)
3-
4-
19-
18(21)
6-
9-
22(2)
17(7-
10-
23(19,22)
26)
14-
11-
20(25)
27-
13-
14/h11,15-
19,24,26H,3-
10,12-
13H2,1-
2H3/t15-
,16+,17-
,18+,19-
,21+,22-
,23+/m1/s1
InChIKey
XZTUSOXSLKTKJQ-CESUGQOBSA-N
SMILES
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
ChEBI Ontology
Outgoing
digitoxigenin (
CHEBI:42219
)
has parent hydride
5β-cardanolide (
CHEBI:35542
)
digitoxigenin (
CHEBI:42219
)
is a
14β-hydroxy steroid (
CHEBI:36862
)
digitoxigenin (
CHEBI:42219
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
Incoming
digitoxigenin 3-
O
-[β-
D
-glucosyl-(1→4)-α-
L
-acofrioside] (
CHEBI:521226
)
has functional parent
digitoxigenin (
CHEBI:42219
)
digitoxin (
CHEBI:28544
)
has functional parent
digitoxigenin (
CHEBI:42219
)
evomonoside (
CHEBI:71000
)
has functional parent
digitoxigenin (
CHEBI:42219
)
neriifolin (
CHEBI:7522
)
has functional parent
digitoxigenin (
CHEBI:42219
)
thevetin B (
CHEBI:27511
)
has functional parent
digitoxigenin (
CHEBI:42219
)
IUPAC Name
3β,14-dihydroxy-5β-card-20(22)-enolide
Synonyms
Sources
Cerberigenin
ChemIDplus
Echujetin
ChemIDplus
Evonogenin
ChemIDplus
Thevetigenin
ChemIDplus
Manual Xrefs
Databases
Digitoxigenin
Wikipedia
DTX
PDBeChem
LMST01120001
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
143-62-4
CAS Registry Number
ChemIDplus
95448
Beilstein Registry Number
Beilstein
Citation
Type
Source
10438974
PubMed citation
Europe PMC
Last Modified
27 November 2015