(Q82936571)

English

1-[4-Hydroxy-4-methyl-7-(propan-2-yl)octahydro-1H-inden-1-yl]ethan-1-one

chemical compound

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instance of

type of chemical entity

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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

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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

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canonical SMILES

CC(=O)C1CCC2C1C(C(C)C)CCC2(C)O

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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

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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

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InChIKey

WLXJHVQYKOJBBN-CAEXGNQWSA-N

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0 references

1 reference

matched by identifier from

InChIKey

WLXJHVQYKOJBBN-CAEXGNQWSA-N

1 reference

1 reference

matched by identifier from

InChIKey

WLXJHVQYKOJBBN-CAEXGNQWSA-N

DSSTOX compound identifier

DTXCID401384449

0 references

(Q82936571)

1-[4-Hydroxy-4-methyl-7-(propan-2-yl)octahydro-1H-inden-1-yl]ethan-1-one

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