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(Q105132949)
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English
methyl (8R)-8-ethyl-6-oxo-7-oxa-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4,14,16,18-hexaene-5-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 8-ethyl-6-oxo-7-oxa-10,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4,14,16,18-hexaene-5-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
364.14230712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀N₂O₄
0 references
canonical SMILES
O=C(OC)C=1C(=O)OC2(C1C=C3C=4NC=5C=CC=CC5C4CCN3C2)CC
0 references
isomeric SMILES
CC[C@]12CN3CCc4c([nH]c5ccccc45)C3=CC1=C(C(=O)OC)C(=O)O2
0 references
found in taxon
Mitragyna speciosa
2 references
stated in
Chemistry and pharmacology of analgesic indole alkaloids from the rubiaceous plant, Mitragyna speciosa
stated in
Isolation and Asymmetric Total Synthesis of a New Mitragyna Indole Alkaloid, (-)-Mitralactonine
Identifiers
InChI
InChI=1S/C21H20N2O4/c1-3-21-11-23-9-8-13-12-6-4-5-7-15(12)22-18(13)16(23)10-14(21)17(19(24)26-2)20(25)27-21/h4-7,10,22H,3,8-9,11H2,1-2H3/t21-/m0/s1
0 references
InChIKey
JPMVRCYAYSSAIH-NRFANRHFSA-N
0 references
PubChem CID
10522789
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JPMVRCYAYSSAIH-NRFANRHFSA-N
UniChem compound ID
33746017
1 reference
stated in
UniChem
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