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English
(3R,6R)-6-Isopropenyl-3-methyl-9-decen-1-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
252.208930136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3S,6S)-3-methyl-6-isopropenyl-9-decen-1-yl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,6R)-3-methyl-6-isopropenyl-9-decen-1-yl acetate
1 reference
based on heuristic
inferred from InChI
(3R,6S)-6-Isopropenyl-3-methyl-9-decen-1-yl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₈O₂
0 references
canonical SMILES
C=CCCC(CCC(C)CCOC(C)=O)C(=C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CC[C@@H](CCC=C)C(=C)C)CCOC(=O)C
0 references
Identifiers
InChI
InChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3/t14-,16-/m1/s1
0 references
InChIKey
UJJKWQRTTYLTQL-GDBMZVCRSA-N
0 references
PubChem CID
138394646
0 references
SureChEMBL ID
SCHEMBL23923881
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
167145463
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70903897
0 references
DTXSID90903899
0 references
DSSTOX compound identifier
DTXCID601331860
0 references
DTXCID301331859
0 references
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