Wikidata

(Q342108)

English

aconitine

chemical compound

  • 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate
In more languages

Statements

chemical structure
Aconitine.svg
1,143 × 1,353; 5 KB
0 references
mass
645.314911 dalton
1 reference
stated in
PubChem
PubChem CID
245005
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
chemical formula
C₃₄H₄₇NO₁₁
1 reference
stated in
PubChem
PubChem CID
245005
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
canonical SMILES
CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
1 reference
stated in
PubChem
PubChem CID
245005
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
isomeric SMILES
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC
1 reference
stated in
PubChem
PubChem CID
245005
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
found in taxon
has part(s)
nitrogen
0 references
carbon
0 references

Identifiers

Reaxys registry number
74608
1 reference
stated in
ChEBI
ChEBI ID
2430
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
MassBank accession ID
NSC number
759627
0 references
UNII
X8YN71D5WC
0 references
KEGG ID
C06091
1 reference
stated in
ChEBI
ChEBI ID
2430
language of work or name
English
title
aconitine (English)
retrieved
3 October 2016
HCIS ID
88
0 references
KBpedia ID
Aconitine
1 reference
stated in
KBpedia
retrieved
9 July 2020
NALT ID
207732
0 references
 
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