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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOLICHODIAL

SMILES

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

InChI

InChIKey=BORBLDJNKYHVJP-FXBDTBDDSA-N
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae).
2005 Apr 8
Relative configuration of natural products using NMR chemical shifts.
2009 Apr
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:37 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:37 GMT 2023
Record UNII
D08WL9YC5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOLICHODIAL
MI  
Common Name English
(CIS,TRANS)-DOLICHODIAL
Common Name English
(±)-DOLICHODIAL
Common Name English
CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1.ALPHA.,2.ALPHA.,3.BETA.)-
Common Name English
DOLICHODIAL [MI]
Common Name English
2-FORMYL-3-METHYL-.ALPHA.-METHYLENECYCLOPENTANEACETALDEHYDE
Systematic Name English
CYCLOPENTANEACETALDEHYDE, 2-FORMYL-3-METHYL-.ALPHA.-METHYLENE-, (1R,2S,3R)-REL-
Systematic Name English
Code System Code Type Description
CAS
1198-22-7
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY
CHEBI
4685
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY
FDA UNII
D08WL9YC5Q
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY
PUBCHEM
442422
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY PUBCHEM
WIKIPEDIA
Dolichodial
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID00331826
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY
MERCK INDEX
m4729
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
PRIMARY Merck Index
CAS
5951-57-5
Created by admin on Sat Dec 16 09:42:37 GMT 2023 , Edited by admin on Sat Dec 16 09:42:37 GMT 2023
ALTERNATIVE
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY