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ChEBI
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CHEBI:57753 - vindolinium(1+)
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ChEBI Name
vindolinium(1+)
ChEBI ID
CHEBI:57753
Definition
A vinca alkaloid cation that is the conjugate acid of vindoline; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H33N2O6
Net Charge
+1
Average Mass
457.540
Monoisotopic Mass
457.23331
InChI
InChI=1S/C25H32N2O6/c1-
6-
23-
10-
7-
12-
27-
13-
11-
24(19(23)
27)
17-
9-
8-
16(31-
4)
14-
18(17)
26(3)
20(24)
25(30,22(29)
32-
5)
21(23)
33-
15(2)
28/h7-
10,14,19-
21,30H,6,11-
13H2,1-
5H3/p+1/t19-
,20+,21+,23+,24+,25-
/m0/s1
InChIKey
CXBGOBGJHGGWIE-ACSXSLCXSA-O
SMILES
[C@@]
123[C@@]
(N(C4=C1C=CC(=C4)
OC)
C)
([C@]
([C@@H]
([C@]
5([C@@]
2([NH+]
(CC=C5)
CC3)
[H]
)
CC)
OC(=O)
C)
(C(=O)
OC)
O)
[H]
ChEBI Ontology
Outgoing
vindolinium(1+) (
CHEBI:57753
)
is a
vinca alkaloid cation (
CHEBI:60082
)
vindolinium(1+) (
CHEBI:57753
)
is conjugate acid of
vindoline (
CHEBI:16380
)
Incoming
vindoline (
CHEBI:16380
)
is conjugate base of
vindolinium(1+) (
CHEBI:57753
)
IUPAC Name
4β-
acetoxy-
3β-
hydroxy-
16-
methoxy-
3-
(methoxycarbonyl)-
1-
methyl-
6,7-
didehydro-
2β,5α,12β,19α-
aspidospermidin-
9-
ium
Synonyms
Sources
(2β,3β,4β,5α,12β,19α)-
4-
acetoxy-
3-
hydroxy-
16-
methoxy-
3-
(methoxycarbonyl)-
1-
methyl-
6,7-
didehydroaspidospermidin-
9-
ium
IUPAC
methyl 4β-
acetyloxy-
3β-
hydroxy-
16-
methoxy-
1-
methyl-
6,7-
didehydro-
2β,5α,12β,19α-
aspidospermidin-
9-
ium-
3α-
carboxylate
ChEBI
vindoline
UniProt
vindolinium cation
ChEBI
Last Modified
26 July 2017