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Details

Stereochemistry EPIMERIC
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PYRETHRIN I 1,4-DIOL

SMILES

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

InChI

InChIKey=GKMSWUGCSMDAHM-MZGNCOORSA-N
InChI=1S/C21H30O5/c1-12(2)9-16-19(21(16,4)5)20(25)26-18-11-17(24)15(13(18)3)10-14(23)7-6-8-22/h6-7,9,14,16,18-19,22-23H,8,10-11H2,1-5H3/b7-6+/t14?,16-,18+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30O5
Molecular Weight 362.4599
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:33:41 GMT 2023
Edited
by admin
on Sat Dec 16 13:33:41 GMT 2023
Record UNII
ZE9BYD5BBZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRETHRIN I 1,4-DIOL
Common Name English
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPEN-1-YL)-, 3-(2,5-DIHYDROXY-3-PENTEN-1-YL)-2-METHYL-4-OXO-2-CYCLOPENTEN-1-YL ESTER
Systematic Name English
((1S)-3-((E)-2,5-DIHYDROXYPENT-3-ENYL)-2-METHYL-4-OXO-CYCLOPENT-2-EN-1-YL) (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
ZE9BYD5BBZ
Created by admin on Sat Dec 16 13:33:41 GMT 2023 , Edited by admin on Sat Dec 16 13:33:41 GMT 2023
PRIMARY
CAS
124780-28-5
Created by admin on Sat Dec 16 13:33:41 GMT 2023 , Edited by admin on Sat Dec 16 13:33:41 GMT 2023
PRIMARY
PUBCHEM
156596430
Created by admin on Sat Dec 16 13:33:41 GMT 2023 , Edited by admin on Sat Dec 16 13:33:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE