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(Q82940448)
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English
20-Ethyl-1,16-dimethoxyaconitane-8,14-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(5S,6S,8S,10R,13R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
1 reference
based on heuristic
inferred from SMILES
mass
377.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₅NO₄
0 references
canonical SMILES
OC1C2CC3C1C(O)(CC2OC)C4CC5C6CN(CC)C4C53C(OC)CC6
0 references
found in taxon
Aconitum campylorrhynchum
2 references
stated in
New C19-diterpenoid alkaloids from Aconitum piepunense
stated in
Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum
Aconitum pseudostapfianum
2 references
stated in
New C19-diterpenoid alkaloids from Aconitum piepunense
stated in
Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum
Aconitum monticola
2 references
stated in
New C19-diterpenoid alkaloids from Aconitum piepunense
stated in
Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum
Aconitum toxicum
1 reference
stated in
New C19-diterpenoid alkaloids from Aconitum piepunense
Aconitum piepunense
1 reference
stated in
Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum
Aconitum forrestii
1 reference
stated in
A New Diterpenoid Alkaloid from Aconitum episcopale.
Aconitum fischeri
1 reference
stated in
A new diterpene alkaloid from Aconitum nasutum
Identifiers
InChI
InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3
0 references
InChIKey
VCOQRRVEIUTMFC-UHFFFAOYSA-N
0 references
CAS Registry Number
38839-95-1
0 references
PubChem CID
170126
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VCOQRRVEIUTMFC-UHFFFAOYSA-N
UniChem compound ID
42774025
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60959626
1 reference
matched by identifier from
InChIKey
InChIKey
VCOQRRVEIUTMFC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID401387500
0 references
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