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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22O3
Molecular Weight 226.312
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL DIHYDROJASMONATE, TRANS-(+)-

SMILES

CCCCC[C@H]1[C@H](CC(=O)OC)CCC1=O

InChI

InChIKey=KVWWIYGFBYDJQC-QWRGUYRKSA-N
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H22O3
Molecular Weight 226.312
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 Fri Dec 15 19:02:24 GMT 2023
Edited
by admin
on Fri Dec 15 19:02:24 GMT 2023
Record UNII
6F0IU8Y5DL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL DIHYDROJASMONATE, TRANS-(+)-
Common Name English
FEMA NO. 3408, (+)-TRANS-
Code English
METHYL DIHYDROJASMONATE (+)-(1S,2S)-FORM [MI]
Common Name English
METHYL (+)-DIHYDROJASMONATE
Common Name English
CYCLOPENTANEACETIC ACID, 3-OXO-2-PENTYL-, METHYL ESTER, (1S-TRANS)-
Common Name English
METHYL DIHYDROJASMONATE (+)-(1S,2S)-FORM
MI  
Common Name English
CYCLOPENTANEACETIC ACID, 3-OXO-2-PENTYL-, METHYL ESTER, (1S,2S)-
Common Name English
Code System Code Type Description
FDA UNII
6F0IU8Y5DL
Created by admin on Fri Dec 15 19:02:24 GMT 2023 , Edited by admin on Fri Dec 15 19:02:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID40164857
Created by admin on Fri Dec 15 19:02:24 GMT 2023 , Edited by admin on Fri Dec 15 19:02:24 GMT 2023
PRIMARY
MERCK INDEX
m7394
Created by admin on Fri Dec 15 19:02:24 GMT 2023 , Edited by admin on Fri Dec 15 19:02:24 GMT 2023
PRIMARY Merck Index
PUBCHEM
1738125
Created by admin on Fri Dec 15 19:02:24 GMT 2023 , Edited by admin on Fri Dec 15 19:02:24 GMT 2023
PRIMARY
CAS
151716-36-8
Created by admin on Fri Dec 15 19:02:24 GMT 2023 , Edited by admin on Fri Dec 15 19:02:24 GMT 2023
PRIMARY