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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPULEGONE, (-)-

SMILES

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

InChI

InChIKey=RMIANEGNSBUGDJ-BDAKNGLRSA-N
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:18:10 GMT 2023
Edited
by admin
on Sat Dec 16 10:18:10 GMT 2023
Record UNII
AHQ6120987
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPULEGONE, (-)-
Common Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHENYL)-, (2S-TRANS)-
Systematic Name English
(-)-ISOPULEGONE
Common Name English
P-MENTH-8-EN-3-ONE, (1R,4S)-(-)-
Systematic Name English
CYCLOHEXANONE, 5-METHYL-2-(1-METHYLETHENYL)-, (2S,5R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10534862
Created by admin on Sat Dec 16 10:18:10 GMT 2023 , Edited by admin on Sat Dec 16 10:18:10 GMT 2023
PRIMARY
CAS
17882-43-8
Created by admin on Sat Dec 16 10:18:10 GMT 2023 , Edited by admin on Sat Dec 16 10:18:10 GMT 2023
PRIMARY
FDA UNII
AHQ6120987
Created by admin on Sat Dec 16 10:18:10 GMT 2023 , Edited by admin on Sat Dec 16 10:18:10 GMT 2023
PRIMARY
Related Record Type Details
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