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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18O6
Molecular Weight 258.2677
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-(TETRAHYDRO-6A-HYDROXY-2,3A,5-TRIMETHYLFURO(2,3-D)-1,3-DIOXOLE-2,5-DIYL)BIS-ETHANONE, (2S,3AS,5R,6AR)-

SMILES

CC(=O)[C@@]1(C)C[C@@]2(O)O[C@@](C)(O[C@]2(C)O1)C(C)=O

InChI

InChIKey=TXTNKDRGVWKECN-WISYIIOYSA-N
InChI=1S/C12H18O6/c1-7(13)9(3)6-12(15)11(5,16-9)17-10(4,18-12)8(2)14/h15H,6H2,1-5H3/t9-,10-,11+,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H18O6
Molecular Weight 258.2677
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:41:06 GMT 2023
Edited
by admin
on Sat Dec 16 01:41:06 GMT 2023
Record UNII
R53NWS63SB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-(TETRAHYDRO-6A-HYDROXY-2,3A,5-TRIMETHYLFURO(2,3-D)-1,3-DIOXOLE-2,5-DIYL)BIS-ETHANONE, (2S,3AS,5R,6AR)-
Common Name English
FEMA NO. 4303, (2S,3AS,5R,6AR)-
Code English
ETHANONE, 1-((2S,3AS,5R,6AR)-2-ACETYLTETRAHYDRO-6A-HYDROXY-2,3A,5-TRIMETHYLFURO(2,3-D)-1,3-DIOXOL-5-YL)-
Common Name English
Code System Code Type Description
FDA UNII
R53NWS63SB
Created by admin on Sat Dec 16 01:41:06 GMT 2023 , Edited by admin on Sat Dec 16 01:41:06 GMT 2023
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EPA CompTox
DTXSID20242041
Created by admin on Sat Dec 16 01:41:06 GMT 2023 , Edited by admin on Sat Dec 16 01:41:06 GMT 2023
PRIMARY
CAS
959620-32-7
Created by admin on Sat Dec 16 01:41:06 GMT 2023 , Edited by admin on Sat Dec 16 01:41:06 GMT 2023
PRIMARY
PUBCHEM
57823860
Created by admin on Sat Dec 16 01:41:06 GMT 2023 , Edited by admin on Sat Dec 16 01:41:06 GMT 2023
PRIMARY