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> Main
CHEBI:142836 -
O
-acetyl-15α-stemmadenine
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ChEBI Name
O
-acetyl-15α-stemmadenine
ChEBI ID
CHEBI:142836
ChEBI ASCII Name
O-acetyl-15alpha-stemmadenine
Definition
An acetate ester resulting from the formal condensation of the hydroxy group of 15α-stemmadenine with the carboxy group of acetic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H28N2O4
Net Charge
0
Average Mass
396.480
Monoisotopic Mass
396.20491
InChI
InChI=1S/C23H28N2O4/c1-
4-
16-
13-
25-
11-
9-
18-
17-
7-
5-
6-
8-
20(17)
24-
21(18)
23(22(27)
28-
3,14-
29-
15(2)
26)
19(16)
10-
12-
25/h4-
8,19,24H,9-
14H2,1-
3H3/b16-
4-
/t19-
,23-
/m0/s1
InChIKey
ZNCUMLJVNWXVLT-ISNKGDJGSA-N
SMILES
C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
is a
acetate ester (
CHEBI:47622
)
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
is a
methyl ester (
CHEBI:25248
)
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
is a
monoterpenoid indole alkaloid (
CHEBI:65323
)
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
is conjugate base of
O
-acetyl-15α-stemmadenine(1+) (
CHEBI:142673
)
Incoming
O
-acetyl-15α-stemmadenine(1+) (
CHEBI:142673
)
is conjugate acid of
O
-acetyl-15α-stemmadenine (
CHEBI:142836
)
IUPAC Name
methyl (5
E
,6
S
,7
S
)-
7-
(acetoxymethyl)-
5-
ethylidene-
1,4,5,6,7,8-
hexahydro-
2
H
-
3,6-
ethanoazonino[5,4-
b
]indole-
7-
carboxylate
Citation
Type
Source
29511102
PubMed citation
Europe PMC
Last Modified
03 January 2019