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(Q105219894)
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English
methyl (1R,3R,7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (3R,8S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0³,⁸]undec-5-ene-6-carboxylate
1 reference
based on heuristic
inferred from SMILES
methyl (3R,7R,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.0³,⁸]undec-5-ene-6-carboxylate
1 reference
based on heuristic
inferred from SMILES
methyl (7S,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
226.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,3S,7R,8R,9R)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,3R,7R,8S,9S)-9-methyl-2,4,10-trioxatricyclo[5.3.1.03,8]undec-5-ene-6-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₅
0 references
canonical SMILES
O=C(OC)C1=COC2OC3OC(C)C2C1C3
0 references
isomeric SMILES
COC(=O)C1=CO[C@@H]2O[C@@H]3C[C@H]1[C@H]2[C@H](C)O3
0 references
found in taxon
Strychnos cocculoides
1 reference
stated in
Phenolic and bis-iridoid glycosides from Strychnos cocculoides
Identifiers
InChI
InChI=1S/C11H14O5/c1-5-9-6-3-8(15-5)16-11(9)14-4-7(6)10(12)13-2/h4-6,8-9,11H,3H2,1-2H3/t5-,6+,8+,9+,11+/m0/s1
0 references
InChIKey
QGBCGMGBGAHJIT-DANLAGSESA-N
0 references
PubChem CID
131636889
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QGBCGMGBGAHJIT-DANLAGSESA-N
UniChem compound ID
153076359
1 reference
stated in
UniChem
UNII
SP5W2CT6D8
1 reference
matched by identifier from
InChIKey
InChIKey
QGBCGMGBGAHJIT-DANLAGSESA-N
Probes And Drugs ID
PD127173
0 references
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