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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50481 - bayogenin
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ChEBI Ontology
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ChEBI Name
bayogenin
ChEBI ID
CHEBI:50481
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H48O5
Net Charge
0
Average Mass
488.69912
Monoisotopic Mass
488.35017
InChI
InChI=1S/C30H48O5/c1-
25(2)
11-
13-
30(24(34)
35)
14-
12-
28(5)
18(19(30)
15-
25)
7-
8-
22-
26(3)
16-
20(32)
23(33)
27(4,17-
31)
21(26)
9-
10-
29(22,28)
6/h7,19-
23,31-
33H,8-
17H2,1-
6H3,(H,34,35)
/t19-
,20-
,21+,22+,23-
,26-
,27-
,28+,29+,30-
/m0/s1
InChIKey
RWNHLTKFBKYDOJ-JEERONPWSA-N
SMILES
[H]
[C@@]
12CC(C)
(C)
CC[C@@]
1(CC[C@]
1(C)
C2=CC[C@]
2([H]
)
[C@@]
3(C)
C[C@H]
(O)
[C@H]
(O)
[C@@]
(C)
(CO)
[C@]
3([H]
)
CC[C@@]
12C)
C(O)
=O
ChEBI Ontology
Outgoing
bayogenin (
CHEBI:50481
)
has parent hydride
oleanane (
CHEBI:36481
)
bayogenin (
CHEBI:50481
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
Incoming
bayogenin 3-
O
-cellobioside (
CHEBI:2999
)
has functional parent
bayogenin (
CHEBI:50481
)
IUPAC Name
2β,3β,23-trihydroxyolean-12-en-28-oic acid
Synonyms
Sources
(2beta,3beta,4alpha)-2,3,23-trihydroxyolean-12-en-28-oic acid
ChemIDplus
2β,23-dihydroxyoleanolic acid
ChEBI
Registry Numbers
Types
Sources
2712722
Beilstein Registry Number
Beilstein
6989-24-8
CAS Registry Number
ChemIDplus
Last Modified
15 August 2008