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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WINE LACTONE

SMILES

[H][C@@]12CCC(C)=C[C@]1([H])OC(=O)[C@H]2C

InChI

InChIKey=NQWBFQXRASPNLB-CIUDSAMLSA-N
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3/t7-,8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:18:46 GMT 2023
Edited
by admin
on Fri Dec 15 20:18:46 GMT 2023
Record UNII
PBI72OD596
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WINE LACTONE
Common Name English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3,6-DIMETHYL-, (3S,3AS,7AR)-
Common Name English
2-(2- HYDROXY-4-METHYL-3-CYCLOHEXENYL) PROPIONIC ACID .GAMMA.-LACTONE [FHFI]
Common Name English
2-(2- HYDROXY-4-METHYL-3-CYCLOHEXENYL) PROPIONIC ACID .GAMMA.-LACTONE
FHFI  
Common Name English
(-)-WINE LACTONE
Common Name English
FEMA NO. 4140
Code English
2(3H)-BENZOFURANONE, 3A,4,5,7A-TETRAHYDRO-3,6-DIMETHYL-, (3S-(3.ALPHA.,3A.ALPHA.,7A.ALPHA.))-
Common Name English
(-)-(3S,3AS,7AR)-WINE LACTONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401316705
Created by admin on Fri Dec 15 20:18:46 GMT 2023 , Edited by admin on Fri Dec 15 20:18:46 GMT 2023
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WIKIPEDIA
WINE LACTONE
Created by admin on Fri Dec 15 20:18:46 GMT 2023 , Edited by admin on Fri Dec 15 20:18:46 GMT 2023
PRIMARY
PUBCHEM
10820954
Created by admin on Fri Dec 15 20:18:46 GMT 2023 , Edited by admin on Fri Dec 15 20:18:46 GMT 2023
PRIMARY
CAS
182699-77-0
Created by admin on Fri Dec 15 20:18:46 GMT 2023 , Edited by admin on Fri Dec 15 20:18:46 GMT 2023
PRIMARY
FDA UNII
PBI72OD596
Created by admin on Fri Dec 15 20:18:46 GMT 2023 , Edited by admin on Fri Dec 15 20:18:46 GMT 2023
PRIMARY