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(Q82936571)
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English
1-[4-Hydroxy-4-methyl-7-(propan-2-yl)octahydro-1H-inden-1-yl]ethan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
oplopane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
238.193280072
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
oplopanone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1-[(1R,3aS,4S,7R,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
1 reference
based on heuristic
inferred from InChI
1-[(1S,3aS,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
1 reference
based on heuristic
inferred from InChI
1-[(1S,3aR,4R,7S,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
1 reference
based on heuristic
inferred from InChI
1-[[(1R,3abeta,7aalpha)-Octahydro-4beta-hydroxy-4-methyl-7alpha-isopropyl-1H-inden]-1-yl]ethanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆O₂
0 references
canonical SMILES
CC(=O)C1CCC2C1C(C(C)C)CCC2(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@H]1CC[C@@]([C@@H]2[C@@H]1[C@@H](CC2)C(=O)C)(C)O
0 references
Identifiers
InChI
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15-/m1/s1
0 references
InChIKey
WLXJHVQYKOJBBN-CAEXGNQWSA-N
0 references
CAS Registry Number
35049-27-5
0 references
PubChem CID
193199
1 reference
matched by identifier from
InChIKey
InChIKey
WLXJHVQYKOJBBN-CAEXGNQWSA-N
UniChem compound ID
68007565
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70956489
1 reference
matched by identifier from
InChIKey
InChIKey
WLXJHVQYKOJBBN-CAEXGNQWSA-N
DSSTOX compound identifier
DTXCID401384449
0 references
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