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SC-8109
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
SC-8109.svg
1,160 × 1,005; 25 KB
0 references
mass
328.20384475599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3C4CCC(=O)C=C4CCC3C1CCC21CCC(=O)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21CCC(=O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H28O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h12,15-18H,2-11H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1
1 reference
reference URL
https://pubchem.ncbi.nlm.nih.gov/compound/168943
retrieved
April 2018
InChIKey
CXXAIOQMCGJVHT-XUJOMZSTSA-N
1 reference
based on heuristic
inferred from InChI
PubChem CID
168943
1 reference
imported from Wikimedia project
English Wikipedia
UniChem compound ID
45857285
1 reference
stated in
UniChem
Google Knowledge Graph ID
/g/11c2pkxt55
0 references
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SC-8109
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