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(Q105360575)
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English
1(2H)-Naphthalenone, 3,4-dihydro-3-(1-hydroxy-1-methylethyl)-5,8-dimethyl-, (S)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
emmotin sesquiterpenoid
0 references
mass
232.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₂
0 references
canonical SMILES
O=C1C=2C(=CC=C(C2CC(C1)C(O)(C)C)C)C
0 references
isomeric SMILES
Cc1ccc(C)c2c1C[C@H](C(C)(C)O)CC2=O
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found in taxon
Emmotum nitens
1 reference
stated in
Structure and absolute configuration of the sesquiterpenoid emmotins
Identifiers
InChI
InChI=1S/C15H20O2/c1-9-5-6-10(2)14-12(9)7-11(8-13(14)16)15(3,4)17/h5-6,11,17H,7-8H2,1-4H3/t11-/m0/s1
0 references
InChIKey
YSQRFFYEEJPEGR-NSHDSACASA-N
0 references
CAS Registry Number
61302-57-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
162820610
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
DSSTox substance ID
DTXSID901134122
1 reference
matched by identifier from
InChIKey
InChIKey
YSQRFFYEEJPEGR-NSHDSACASA-N
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