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Reference substances

Currently viewing:
IUPAC name:
2-[(1R)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-oxoethyl propanoate; 2-[(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy]-2-oxoethyl propanoate; 2-oxo-2-{[(1S,2S)-2,6,6-trimethylcycloheptyl]oxy}ethyl propanoate

Inventory

EC number:
431-700-8
EC name:
-
CAS number:
-
Description:
ROMANDOLIDE
CAS number:
259823-90-0
Synonyms
Names:
Identifier:
IUPAC name
Reaction mass of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl propionate and 2-oxo-2-{[(1RS,2RS)-2,6,6-trimethylcycloheptyl]oxy}ethylpropionate
Identifier:
other: Molecular formula
C15H26O4
Identifier:
other: SMILES notation
CCC(=O)OCC(=O)O[C@@H](C)[C@@H]1CCCC(C)(C)C1 CCC(=O)OCC(=O)O[C@H](C)[C@@H]1CCCC(C)(C)C1 CCC(=O)OCC(=O)O[C@@H]1CC(C)(C)CCC[C@H]1C
Reaction mass of 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl propionate and [2-oxo-2-(2,6,6-trimethylcycloheptoxy)ethyl] propanoate

Molecular and structural information

Molecular formula:
C15H26O4
Molecular weight:
270.36
SMILES notation:
CC1(C)C[C@@]([C@@H](OC(COC(CC)=O)=O)C)([H])CCC1
CC1(C)C[C@]([C@H](OC(COC(CC)=O)=O)C)([H])CCC1
CC1(C)C[C@@H](OC(COC(CC)=O)=O)[C@H](C)CCC1
CC1(C)C[C@H](OC(COC(CC)=O)=O)[C@@H](C)CCC1
CC1(C)C[C@@]([C@H](OC(COC(CC)=O)=O)C)([H])CCC1
CC1(C)C[C@]([C@@H](OC(COC(CC)=O)=O)C)([H])CCC1
InChl:
InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1
InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-12-9-15(3,4)8-6-7-11(12)2/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
Structural formula:
Chemical structure

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