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(Q105245980)
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English
3-[(1R,2R,7S,10R,13R,14S)-1-methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(1-Methyl-14-propan-2-yl-12-azatetracyclo[8.6.0.02,13.03,7]hexadec-3-en-2-yl)propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
345.26677936
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₅NO₂
0 references
canonical SMILES
O=C(O)CCC12C3=CCCC3CCC4CNC2C(CCC41C)C(C)C
0 references
isomeric SMILES
CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4CCC=C4[C@]2(CCC(=O)O)[C@@H]1NC3
0 references
found in taxon
Daphniphyllum paxianum
1 reference
stated in
Paxdaphnidines A and B, novel penta- and tetracyclic alkaloids from Daphniphyllum paxianum
Identifiers
InChI
InChI=1S/C22H35NO2/c1-14(2)17-9-11-21(3)16-8-7-15-5-4-6-18(15)22(21,12-10-19(24)25)20(17)23-13-16/h6,14-17,20,23H,4-5,7-13H2,1-3H3,(H,24,25)/t15-,16-,17-,20+,21+,22+/m0/s1
0 references
InChIKey
RVEHXCTUKLDIGQ-IUSKLVQGSA-N
0 references
PubChem CID
163188345
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RVEHXCTUKLDIGQ-IUSKLVQGSA-N
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