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(Q105266858)
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English
methyl (1R,12S,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9-tetraene-10-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
354.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
O=C(OC)C1=C2NC3=CC(O)=CC=C3C24CCN5CCCC(C1)(CC)C54
0 references
isomeric SMILES
CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)ccc14)[C@@H]32
0 references
found in taxon
Melodinus hemsleyanus
1 reference
stated in
Alkaloids from Melodinus hemsleyanus
Melodinus fusiformis
1 reference
stated in
Alkaloids from Melodinus hemsleyanus
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h5-6,11,19,22,24H,3-4,7-10,12H2,1-2H3/t19-,20-,21-/m0/s1
0 references
InChIKey
TXNBTVSTYBKLBO-ACRUOGEOSA-N
0 references
PubChem CID
162669518
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXNBTVSTYBKLBO-ACRUOGEOSA-N
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