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(Q105243042)
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English
(2S,5R,6R)-2-[(1S)-1-bromoethyl]-6-[(E)-3-chloroprop-2-enyl]-2,5-dimethyloxane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(1-Bromoethyl)-6-(3-chloroprop-2-enyl)-2,5-dimethyloxane
1 reference
based on heuristic
inferred from SMILES
mass
294.03860504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Kumepaloxane
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₀BrClO
0 references
canonical SMILES
ClC=CCC1OC(C)(CCC1C)C(Br)C
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isomeric SMILES
C[C@H](Br)[C@]1(C)CC[C@@H](C)[C@@H](C/C=C/Cl)O1
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found in taxon
Haminoea cymbalum
1 reference
stated in
ChemInform Abstract: Kumepaloxane, a Rearranged Trinorsesquiterpene from the Bubble Shell Haminoea cymbalum
Lamprohaminoea cymbalum
1 reference
stated in
ChemInform Abstract: Kumepaloxane, a Rearranged Trinorsesquiterpene from the Bubble Shell Haminoea cymbalum
Identifiers
InChI
InChI=1S/C12H20BrClO/c1-9-6-7-12(3,10(2)13)15-11(9)5-4-8-14/h4,8-11H,5-7H2,1-3H3/b8-4+/t9-,10+,11-,12+/m1/s1
0 references
InChIKey
RPUPJNLDKRSQRY-QJBXBYQYSA-N
0 references
PubChem CID
163093842
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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