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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O5
Molecular Weight 360.444
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CINERIN II

SMILES

COC(=O)C(\C)=C\[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C/C)=C2C)C1(C)C

InChI

InChIKey=SHCRDCOTRILILT-WOBDGSLYSA-N
InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O5
Molecular Weight 360.444
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 14:58:42 GMT 2023
Edited
by admin
on Fri Dec 15 14:58:42 GMT 2023
Record UNII
J204A0Y0JG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINERIN II
HSDB   ISO   MI  
Common Name English
CINERIN 2
Common Name English
CINERIN II [MI]
Common Name English
CINERIN II [ISO]
Common Name English
CINERIN II [HSDB]
Common Name English
3-(3-METHOXY-2-METHYL-3-OXO-1-PROPENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID 3-(2-BUTENYL)-2-METHYL-4-OXO-2- CYCLOPENTEN-1-YL ESTER
Systematic Name English
CYCLOPROPANECARBOXYLIC ACID, 3-((1E)-3-METHOXY-2-METHYL-3-OXO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (1S)-3-(2Z)-2-BUTEN-1-YL-2-METHYL-4-OXO-2-CYCLOPENTEN-1- YL ESTER, (1R,3R)-
Common Name English
3-(BUT-2-ENYL)-2-METHYL-4-OXOCYCLOPENT-2-ENYL-2,2-DIMETHYL-3-(3-METHOXY-2-METHYL-3-OXOPROP-1-ENYL)CYCLOPROPANECARBOXYLATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C737
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
EPA PESTICIDE CODE 69010
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C80596
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
FDA UNII
J204A0Y0JG
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
CAS
121-20-0
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
CHEBI
3707
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-454-2
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
PUBCHEM
5281548
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
ALANWOOD
cinerin II
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
MERCK INDEX
m3563
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID9041788
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY
HSDB
6838
Created by admin on Fri Dec 15 14:58:42 GMT 2023 , Edited by admin on Fri Dec 15 14:58:42 GMT 2023
PRIMARY