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CHEBI:67949 - 3β-acetoxyolean-18-en-28-oic acid
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ChEBI Name
3β-acetoxyolean-18-en-28-oic acid
ChEBI ID
CHEBI:67949
ChEBI ASCII Name
3beta-acetoxyolean-18-en-28-oic acid
Definition
A pentacyclic triterpenoid that is olean-18-ene substituted by an acetyloxy group at position 3 and a carboxy group at position 28. It has been isolated from
Juglans sinensis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C32H50O4
Net Charge
0
Average Mass
498.73700
Monoisotopic Mass
498.37091
InChI
InChI=1S/C32H50O4/c1-
20(33)
36-
25-
12-
13-
29(6)
23(28(25,4)
5)
11-
14-
31(8)
24(29)
10-
9-
21-
22-
19-
27(2,3)
15-
17-
32(22,26(34)
35)
18-
16-
30(21,31)
7/h19,21,23-
25H,9-
18H2,1-
8H3,(H,34,35)
/t21-
,23+,24-
,25+,29+,30-
,31-
,32+/m1/s1
InChIKey
ATCLOZHDTYBRBI-MGIFRHGRSA-N
SMILES
CC(=O)
O[C@H]
1CC[C@@]
2(C)
[C@@H]
(CC[C@]
3(C)
[C@@H]
2CC[C@@H]
2C4=CC(C)
(C)
CC[C@@]
4(CC[C@@]
32C)
C(O)
=O)
C1(C)
C
Metabolite of Species
Details
Juglans sinensis
(NCBI:txid442437-1)
Found in leaf
(BTO:0000713)
. 80% Methanolic extract of dried leaves and twigs See:
PubMed
Juglans sinensis
(NCBI:txid442437-1)
Found in twig
(BTO:0001411)
. 80% Methanolic extract of dried leaves and twigs See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3β-acetoxyolean-18-en-28-oic acid (
CHEBI:67949
)
has parent hydride
oleanane (
CHEBI:36481
)
3β-acetoxyolean-18-en-28-oic acid (
CHEBI:67949
)
has role
plant metabolite (
CHEBI:76924
)
3β-acetoxyolean-18-en-28-oic acid (
CHEBI:67949
)
is a
acetate ester (
CHEBI:47622
)
3β-acetoxyolean-18-en-28-oic acid (
CHEBI:67949
)
is a
monocarboxylic acid (
CHEBI:25384
)
3β-acetoxyolean-18-en-28-oic acid (
CHEBI:67949
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
3β-(acetyloxy)olean-18-en-28-oic acid
Registry Number
Type
Source
3180462
Reaxys Registry Number
Reaxys
Citation
Type
Source
21309591
PubMed citation
Europe PMC
Last Modified
20 January 2014