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(Q105163637)
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English
(8,9-Dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
group of stereoisomers with the chemical formula C₃₅H₄₆N₂O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolidine alkaloid
1 reference
inferred from
pyrrolidine alkaloid
aconitane alkaloid
1 reference
inferred from
aconitane alkaloid
mass
654.315245672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₄₆N₂O₁₀
0 references
canonical SMILES
O=C(OCC12CNC3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N8C(=O)CC(C8=O)C
0 references
found in taxon
Aconitum cochleare
1 reference
stated in
Diterpenoid Alkaloids from the Roots of Aconitum cochleare
Identifiers
InChI
InChI=1S/C35H46N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,17,19-20,22-23,25-28,31,36,41-42H,10-16H2,1-5H3
0 references
InChIKey
MGXUHQQWZVYZOY-UHFFFAOYSA-N
0 references
PubChem CID
73808744
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MGXUHQQWZVYZOY-UHFFFAOYSA-N
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