Marvin  03291011562D          

 14 14  0  0  0  0            999 V2000
    9.9746   -4.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3071   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5621   -5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3871   -5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6421   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267   -4.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7996   -6.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927   -4.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927   -5.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6246   -6.5190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0371   -7.2334    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8621   -7.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3226   -7.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370   -8.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
> <ID>
CHEBI:59145

> <NAME>
3-mesyloxymethyl-5,5-dimethylbutyrolactone

> <DEFINITION>
A butan-4-olide having a mesyloxymethyl group at the 3-position and two methyl substituents at the 5-position.

> <STAR>
3

> <SYNONYM>
dihydro-5,5-dimethyl-3-[[(methylsulfonyl)oxy]methyl]-2(3H)-furanone; 3-[(mesyloxy)methyl]-5,5-dimethyldihydro-2(3H)-furanone; (5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl methanesulfonate; (5,5-dimethyl-2-oxotetrahydro-3-furanyl)methyl methanesulfonate

> <IUPAC_NAME>
(5,5-dimethyl-2-oxooxolan-3-yl)methyl methanesulfonate

> <FORMULA>
C8H14O5S

> <MASS>
222.25900

> <MONOISOTOPIC_MASS>
222.05619

> <CHARGE>
0

> <SMILES>
CC1(C)CC(COS(C)(=O)=O)C(=O)O1

> <INCHI>
InChI=1S/C8H14O5S/c1-8(2)4-6(7(9)13-8)5-12-14(3,10)11/h6H,4-5H2,1-3H3

> <INCHIKEY>
JISQVVRQGZOKPJ-UHFFFAOYSA-N

> <PUBMED_CITATION>
8075360; 8075361

$$$$