PYRETHRIN I 1,2-DIOL METABOLITE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O5
Molecular Weight	348.4333
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PYRETHRIN I 1,2-DIOL METABOLITE

Structure Search

SMILES

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

InChI

InChIKey=CNFGFYJXXNHHHQ-UMNFRDSPSA-N

InChI=1S/C20H28O5/c1-11(2)8-15-18(20(15,4)5)19(24)25-17-9-16(23)14(12(17)3)7-6-13(22)10-21/h6,8,15,17-18,21-22H,7,9-10H2,1-5H3/b13-6+/t15-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O5
Molecular Weight	348.4333
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:42:39 GMT 2023` Edited by `admin` on `Sat Dec 16 13:42:39 GMT 2023`
Record UNII	KB48HYL43E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRETHRIN I 1,2-DIOL METABOLITE

Common Name

English

((1S)-3-((E)-3,4-DIHYDROXYBUT-2-ENYL)-2-METHYL-4-OXO-CYCLOPENT-2-EN-1-YL) (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLATE

Systematic Name

English

CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, 3-(4,5-DIHYDROXY-2-PENTENYL)-2-METHYL-4-OXO-2-CYCLOPENTEN-1-YL ESTER

Systematic Name

English

Code System Code Type Description

CAS

124780-27-4

Created by admin on Sat Dec 16 13:42:39 GMT 2023 , Edited by admin on Sat Dec 16 13:42:39 GMT 2023

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FDA UNII

KB48HYL43E

Created by admin on Sat Dec 16 13:42:39 GMT 2023 , Edited by admin on Sat Dec 16 13:42:39 GMT 2023

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PUBCHEM

156596390

Created by admin on Sat Dec 16 13:42:39 GMT 2023 , Edited by admin on Sat Dec 16 13:42:39 GMT 2023

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PYRETHRIN I

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