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(Q105257849)
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English
4,6,10-Triacetoxy-5a-(acetoxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-5-(3-pyridylcarbonyloxy)-2H-3,9a-methano-1-benzooxepin
group of stereoisomers with the chemical formula C₂₉H₃₇NO₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
pyridine alkaloids
1 reference
inferred from
pyridine alkaloids
mass
575.236661004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₇NO₁₁
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C2C(OC(=O)C)C3(OC2(C)C)C(C)CCC(OC(=O)C)C13COC(=O)C)C=4C=NC=CC4
0 references
found in taxon
Euonymus japonicus
1 reference
stated in
New sesquiterpene esters and alkaloids from Euonymus japonicus: the ‘Ejap’ series. X-Ray molecular structures of Ejap-2, -3, -4, -5, -6, and -10
Identifiers
InChI
InChI=1S/C29H37NO11/c1-15-10-11-21(37-17(3)32)28(14-36-16(2)31)25(40-26(35)20-9-8-12-30-13-20)23(38-18(4)33)22-24(39-19(5)34)29(15,28)41-27(22,6)7/h8-9,12-13,15,21-25H,10-11,14H2,1-7H3
0 references
InChIKey
SQFNSXGWZVTVDY-UHFFFAOYSA-N
0 references
PubChem CID
14431365
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SQFNSXGWZVTVDY-UHFFFAOYSA-N
UniChem compound ID
100962341
1 reference
stated in
UniChem
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