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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGOL, (+)-

SMILES

C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C

InChI

InChIKey=ZYTMANIQRDEHIO-AEJSXWLSSA-N
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:17:45 GMT 2023
Edited
by admin
on Fri Dec 15 20:17:45 GMT 2023
Record UNII
P1786K4KJ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPULEGOL, (+)-
Common Name English
D-ISOPULEGOL
Common Name English
(1S,2R,5S)-(+)-ISOPULEGOL
Common Name English
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, (1S,2R,5S)-
Systematic Name English
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,2.BETA.,5.ALPHA.))-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40146799
Created by admin on Fri Dec 15 20:17:45 GMT 2023 , Edited by admin on Fri Dec 15 20:17:45 GMT 2023
PRIMARY
CAS
104870-56-6
Created by admin on Fri Dec 15 20:17:45 GMT 2023 , Edited by admin on Fri Dec 15 20:17:45 GMT 2023
PRIMARY
FDA UNII
P1786K4KJ2
Created by admin on Fri Dec 15 20:17:45 GMT 2023 , Edited by admin on Fri Dec 15 20:17:45 GMT 2023
PRIMARY
PUBCHEM
1268090
Created by admin on Fri Dec 15 20:17:45 GMT 2023 , Edited by admin on Fri Dec 15 20:17:45 GMT 2023
PRIMARY