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(Q118259529)
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English
3,13-Dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-10,16-dione
group of stereoisomers with the chemical formula C₂₁H₂₇NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
atidane / atisine / hetisan type alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
357.194008344
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₇NO₄
0 references
canonical SMILES
O=C1CC23C(O)C(=C)C4C(=O)C3C5N(C)CC6(C)CC(O)CC5(C16)C2C4
0 references
found in taxon
Aconitum sczukinii
1 reference
stated in
Two New Diterpenoid Alkaloids from Aconitum cochleare
Identifiers
InChI
InChI=1S/C21H27NO4/c1-9-11-4-13-20(18(9)26)7-12(24)16-19(2)5-10(23)6-21(13,16)17(22(3)8-19)14(20)15(11)25/h10-11,13-14,16-18,23,26H,1,4-8H2,2-3H3
0 references
InChIKey
CSLMYSGFLMHHFJ-UHFFFAOYSA-N
0 references
PubChem CID
163103730
2 references
stated in
PubChem
retrieved
10 May 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CSLMYSGFLMHHFJ-UHFFFAOYSA-N
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