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CHEBI:70273 - cabraleadiol monoacetate
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ChEBI Name
cabraleadiol monoacetate
ChEBI ID
CHEBI:70273
Definition
A tetracyclic triterpenoid isolated from
Aglaia abbreviata
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C32H54O4
Net Charge
0
Average Mass
502.76880
Monoisotopic Mass
502.40221
InChI
InChI=1S/C32H54O4/c1-
20(33)
35-
25-
14-
16-
29(6)
23(27(25,2)
3)
13-
18-
31(8)
24(29)
11-
10-
21-
22(12-
17-
30(21,31)
7)
32(9)
19-
15-
26(36-
32)
28(4,5)
34/h21-
26,34H,10-
19H2,1-
9H3/t21-
,22+,23+,24-
,25-
,26+,29+,30-
,31-
,32+/m1/s1
InChIKey
MYKPKZPRXSYQEQ-QCPMDXGFSA-N
SMILES
CC(=O)
O[C@@H]
1CC[C@@]
2(C)
[C@@H]
(CC[C@]
3(C)
[C@@H]
2CC[C@@H]
2[C@H]
(CC[C@@]
32C)
[C@]
2(C)
CC[C@H]
(O2)
C(C)
(C)
O)
C1(C)
C
Metabolite of Species
Details
Aglaia abbreviata
(IPNI:576946-1)
Found in stem
(BTO:0001300)
. 95% ethanolic extract of air-dried stems See:
PubMed
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
cabraleadiol monoacetate (
CHEBI:70273
)
has parent hydride
dammarane (
CHEBI:36488
)
cabraleadiol monoacetate (
CHEBI:70273
)
has role
plant metabolite (
CHEBI:76924
)
cabraleadiol monoacetate (
CHEBI:70273
)
is a
acetate ester (
CHEBI:47622
)
cabraleadiol monoacetate (
CHEBI:70273
)
is a
oxolanes (
CHEBI:26912
)
cabraleadiol monoacetate (
CHEBI:70273
)
is a
tertiary alcohol (
CHEBI:26878
)
cabraleadiol monoacetate (
CHEBI:70273
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(3α,24
S
)-25-hydroxy-20,24-epoxydammaran-3-yl acetate
Registry Number
Type
Source
1442047
Reaxys Registry Number
Reaxys
Citation
Type
Source
21087017
PubMed citation
Europe PMC
Last Modified
01 June 2015