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CHEBI:80798 - bufadienolide
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ChEBI Name
bufadienolide
ChEBI ID
CHEBI:80798
Definition
The simplest member of the class of bufadienolides that is bufanolide with unsaturation at positions 20 and 22.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H34O2
Net Charge
0
Average Mass
354.52560
Monoisotopic Mass
354.25588
InChI
InChI=1S/C24H34O2/c1-
23-
13-
4-
3-
5-
17(23)
7-
8-
18-
20-
10-
9-
19(16-
6-
11-
22(25)
26-
15-
16)
24(20,2)
14-
12-
21(18)
23/h6,11,15,17-
21H,3-
5,7-
10,12-
14H2,1-
2H3/t17?,18-
,19+,20+,21-
,23-
,24+/m0/s1
InChIKey
YBPMPRDOWHIVNA-XTBIJCDISA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@]34C)[C@H]1CC[C@@H]2c1ccc(=O)oc1
ChEBI Ontology
Outgoing
bufadienolide (
CHEBI:80798
)
is a
bufadienolides (
CHEBI:83967
)
Incoming
(5β)-bufadienolide (
CHEBI:83977
)
is a
bufadienolide (
CHEBI:80798
)
IUPAC Name
bufa-20,22-dienolide
Manual Xrefs
Databases
Bufadienolide
Wikipedia
C16921
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
14760355
Reaxys Registry Number
Reaxys
29565-35-3
CAS Registry Number
ChemIDplus
Last Modified
02 December 2014