U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 NEOISOPULEGOL, (-)-

SMILES

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

InChI

InChIKey=ZYTMANIQRDEHIO-IVZWLZJFSA-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

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:14:05 GMT 2023
Edited
by admin
on Fri Dec 15 16:14:05 GMT 2023
Record UNII
6910XR09W9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOISOPULEGOL, (-)-
Common Name English
(-)-NEOISOPULEGOL
Common Name English
(1R,2R,5S)-5-METHYL-2-(1-METHYLETHENYL)CYCLOHEXANOL
Systematic Name English
(-)-NEO-ISOPULEGOL
Common Name English
CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,2.ALPHA.,5.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
6910XR09W9
Created by admin on Fri Dec 15 16:14:05 GMT 2023 , Edited by admin on Fri Dec 15 16:14:05 GMT 2023
PRIMARY
PUBCHEM
7057942
Created by admin on Fri Dec 15 16:14:05 GMT 2023 , Edited by admin on Fri Dec 15 16:14:05 GMT 2023
PRIMARY
CAS
122517-60-6
Created by admin on Fri Dec 15 16:14:05 GMT 2023 , Edited by admin on Fri Dec 15 16:14:05 GMT 2023
PRIMARY