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English
Allopumiliotoxin 323B'
group of stereoisomers with the chemical formula C₁₉H₃₃NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
323.24604391599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₃NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(O)C(C)=CCC(C)C=C1CN2CCCC2C(C)(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](O)/C(C)=C/CC(C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H33NO3/c1-5-16(21)14(3)9-8-13(2)11-15-12-20-10-6-7-17(20)19(4,23)18(15)22/h9,11,13,16-18,21-23H,5-8,10,12H2,1-4H3/b14-9+,15-11+/t13?,16-,17-,18+,19+/m0/s1
0 references
InChIKey
DQSBNMJLDZIARX-OSJHGSQXSA-N
0 references
CAS Registry Number
109279-26-7
0 references
PubChem CID
6442868
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56299244
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10897084
0 references
DSSTOX compound identifier
DTXCID901326513
0 references
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