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(Q82578714)
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PUBCHEM_45028040
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
352.22497412399997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(−)-membrenone B
1 reference
based on heuristic
inferred from InChI
[(2R,3R,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] propanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₅
0 references
canonical SMILES
CCC(=O)OC(C(C)C(=O)CC)C(C)C1OC(CC)=C(C)C(=O)C1C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC1=C(C(=O)[C@@H]([C@H](O1)[C@@H](C)[C@@H]([C@@H](C)C(=O)CC)OC(=O)CC)C)C
0 references
Identifiers
InChI
InChI=1S/C20H32O5/c1-8-15(21)11(4)19(25-17(22)10-3)14(7)20-13(6)18(23)12(5)16(9-2)24-20/h11,13-14,19-20H,8-10H2,1-7H3/t11-,13-,14-,19+,20-/m0/s1
0 references
InChIKey
UBXYYFKDNAPTAL-DNFDJJHKSA-N
0 references
CAS Registry Number
152273-82-0
0 references
PubChem CID
45028040
0 references
UniChem compound ID
48524968
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70661622
0 references
DSSTOX compound identifier
DTXCID70612371
0 references
NSC number
740825
0 references
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