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> Main
CHEBI:132374 - 29-hydroxyfriedelan-3-one
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ChEBI Name
29-hydroxyfriedelan-3-one
ChEBI ID
CHEBI:132374
Definition
A pentacyclic triterpenoid with formula C
30
H
50
O
2
, originally isolated from
Tripterygium hypoglaucum
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H50O2
Net Charge
0
Average Mass
442.718
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
20-
21(32)
8-
9-
22-
27(20,4)
11-
10-
23-
28(22,5)
15-
17-
30(7)
24-
18-
25(2,19-
31)
12-
13-
26(24,3)
14-
16-
29(23,30)
6/h20,22-
24,31H,8-
19H2,1-
7H3/t20-
,22+,23-
,24+,25+,26+,27+,28-
,29+,30-
/m0/s1
InChIKey
NAOCHKKFDYTOII-MGIZKUGISA-N
SMILES
[C@@]
12(CC[C@]
3([C@]
(CCC([C@@H]
3C)
=O)
([H]
)
[C@@]
1(CC[C@@]
4([C@@]
2(CC[C@@]
5([C@]
4(C[C@]
(C)
(CO)
CC5)
[H]
)
C)
C)
C)
C)
C)
[H]
Metabolite of Species
Details
Microtropis triflora
(NCBI:txid1089421)
See:
PubMed
Salacia petenensis
(NCBI:txid1136861)
Found in bark
(BTO:0001301)
. See:
PubMed
Tripterygium hypoglaucum
(NCBI:txid205465)
See: Phytochem., 53, (2000), 715
Roles Classification
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
29-hydroxyfriedelan-3-one (
CHEBI:132374
)
has parent hydride
friedelane (
CHEBI:71575
)
29-hydroxyfriedelan-3-one (
CHEBI:132374
)
has role
plant metabolite (
CHEBI:76924
)
29-hydroxyfriedelan-3-one (
CHEBI:132374
)
is a
cyclic terpene ketone (
CHEBI:36130
)
29-hydroxyfriedelan-3-one (
CHEBI:132374
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
29-hydroxyfriedelan-3-one (
CHEBI:132374
)
is a
primary alcohol (
CHEBI:15734
)
IUPAC Name
(4
R
,4a
S
,6a
S
,6b
R
,8a
S
,11
R
,12a
R
,12b
S
,14a
S
,14b
S
)-
11-
(hydroxymethyl)-
4,4a,6b,8a,11,12b,14a-
heptamethylicosahydropicen-
3(2
H
)-
one
Synonyms
Sources
(-)-29-Hydroxyfriedelan-3-one
KNApSAcK
29-hydroxy-3-friedelanone
ChEBI
29-hydroxyfriedelin
ChEBI
friedelane-3-one-29-ol
ChEBI
Manual Xref
Database
C00036478
KNApSAcK
View more database links
Registry Numbers
Types
Sources
39903-21-4
CAS Registry Number
KNApSAcK
4883441
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11270725
PubMed citation
Europe PMC
17972583
PubMed citation
Europe PMC
Last Modified
25 October 2016