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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGOL HYDRATE

SMILES

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

InChI

InChIKey=LMXFTMYMHGYJEI-IWSPIJDZSA-N
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.
2004 Feb
Percutaneous absorption of an insect repellent p-menthane-3,8-DIOL: a model for human dermal absorption.
2009
Dihydronepetalactones deter feeding activity by mosquitoes, stable flies, and deer ticks.
2009 Jul
Efficacy and safety of catnip (Nepeta cataria) as a novel filth fly repellent.
2009 Sep
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:01:54 GMT 2023
Edited
by admin
on Sat Dec 16 01:01:54 GMT 2023
Record UNII
AAL436QJ5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPULEGOL HYDRATE
Common Name English
CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R-(1.ALPHA.,2.BETA.,4.BETA.))-
Common Name English
CYCLOHEXANEMETHANOL, 2-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, (1R,2R,4R)-
Systematic Name English
(-)-3,8-P-MENTHANEDIOL
Common Name English
3,8-P-MENTHANEDIOL, (-)-
Common Name English
Code System Code Type Description
FDA UNII
AAL436QJ5W
Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023
PRIMARY
CHEBI
16053
Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023
PRIMARY
CAS
91739-72-9
Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023
PRIMARY
PUBCHEM
19100
Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID801033610
Created by admin on Sat Dec 16 01:01:54 GMT 2023 , Edited by admin on Sat Dec 16 01:01:54 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER