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Details

Stereochemistry UNKNOWN
Molecular Formula C14H20O4
Molecular Weight 252.3062
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of FREQUENTIN

SMILES

CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1C=O

InChI

InChIKey=MHZVWXOKIRZLCJ-RVZXZRSKSA-N
InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10?,11-,12+,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H20O4
Molecular Weight 252.3062
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:55:47 UTC 2023
Edited
by admin
on Sat Dec 16 08:55:47 UTC 2023
Record UNII
27JRF51J6T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FREQUENTIN
MI  
Common Name English
FREQUENTINE
Common Name English
FREQUENTIN [MI]
Common Name English
CYCLOHEXANECARBOXALDEHYDE, 6-(1,3-HEPTADIEN-1-YL)-3,4-DIHYDROXY-2-OXO-
Systematic Name English
6-(1,3-HEPTADIEN-1-YL)-3,4-DIHYDROXY-2-OXOCYCLOHEXANECARBOXALDEHYDE
Systematic Name English
NSC-246118
Code English
Code System Code Type Description
FDA UNII
27JRF51J6T
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY
CAS
29119-03-7
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY
NSC
246118
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID50891809
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY
PUBCHEM
5461035
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY
MERCK INDEX
m5569
Created by admin on Sat Dec 16 08:55:47 UTC 2023 , Edited by admin on Sat Dec 16 08:55:47 UTC 2023
PRIMARY Merck Index