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> Main
CHEBI:132371 - triptocallic acid D
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ChEBI Name
triptocallic acid D
ChEBI ID
CHEBI:132371
Definition
A pentacyclic triterpenoid with formula C
30
H
48
O
4
, originally isolated from
Tripterygium wilfordii
and
Tripterygium hypoglaucum
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H48O4
Net Charge
0
Average Mass
472.701
Monoisotopic Mass
472.35526
InChI
InChI=1S/C30H48O4/c1-
25(2)
20-
10-
13-
30(7)
21(28(20,5)
12-
11-
22(25)
31)
9-
8-
18-
19-
16-
26(3,24(33)
34)
17-
23(32)
27(19,4)
14-
15-
29(18,30)
6/h8,19-
23,31-
32H,9-
17H2,1-
7H3,(H,33,34)
/t19-
,20-
,21+,22+,23-
,26-
,27+,28-
,29+,30+/m0/s1
InChIKey
JTBGJQZJEYVBJZ-SXKKXCELSA-N
SMILES
C1[C@@H]
(O)
C([C@@]
2(CC[C@@]
3([C@]
(CC=C4[C@]
3(CC[C@@]
5([C@]
4(C[C@@]
(C[C@@H]
5O)
(C(O)
=O)
C)
[H]
)
C)
C)
([C@]
2(C1)
C)
[H]
)
C)
[H]
)
(C)
C
Metabolite of Species
Details
Tripterygium hypoglaucum
(NCBI:txid205465)
See: Phytochem., 53, (2000), 715
Tripterygium wilfordii
(NCBI:txid458696)
See: Phytochem., 53, (2000), 805
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
triptocallic acid D (
CHEBI:132371
)
has parent hydride
oleanane (
CHEBI:36481
)
triptocallic acid D (
CHEBI:132371
)
has role
plant metabolite (
CHEBI:76924
)
triptocallic acid D (
CHEBI:132371
)
is a
diol (
CHEBI:23824
)
triptocallic acid D (
CHEBI:132371
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
triptocallic acid D (
CHEBI:132371
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(3α,22α)-3,22-dihydroxyolean-12-en-29-oic acid
Synonym
Source
3α,22α-dihydroxyolean-12-en-29-oic acid
ChEBI
Manual Xrefs
Databases
44575705
PubChem
C00037953
KNApSAcK
View more database links
Registry Numbers
Types
Sources
201534-09-0
CAS Registry Number
KNApSAcK
7891502
Reaxys Registry Number
Reaxys
Citation
Type
Source
17250858
PubMed citation
Europe PMC
Last Modified
25 October 2016