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(Q82885013)
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Kopsoffinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (1R,9R,16S,18R,21S)-6-[(15R,17R,19S)-15-(1-hydroxyethyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
632.372641396
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₄₈N₄O₃
0 references
canonical SMILES
O=C(OC)C1CC23CCCN4CCC5(C6=CC(=CC=C6NC15CC2)C7N8C=9C=CC=CC9C%10=C8C%11N(CC%10)CCCC%11(C7)C(O)C)C43
0 references
found in taxon
Kopsia dasyrachis
1 reference
stated in
Kopsia pauciflora, I. Structure et Configuration Absolue de Nouveaux Alcaloïdes Indoliques Dimeres de Type Aspidospermane-Eburnane de la Serie Pleiomutine-Kopsoffine
Kopsia pauciflora
1 reference
stated in
Alkaloids from Kopsia dasyrachis
Identifiers
InChI
InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3
0 references
InChIKey
NKQJSTGACVZXMS-UHFFFAOYSA-N
0 references
CAS Registry Number
96935-25-0
0 references
PubChem CID
180723
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NKQJSTGACVZXMS-UHFFFAOYSA-N
UniChem compound ID
43128220
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30914247
1 reference
matched by identifier from
InChIKey
InChIKey
NKQJSTGACVZXMS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID901343242
0 references
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