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Product Overview

Product Code

TRC-J210505

CAS Number

1172-63-0

Product Format

Neat

Molecular Formula

C22H30O5

Molecular Weight

374.47

Product Categories

Insecticides and metabolites, Insecticides and metabolites, Extracts, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Jasmolin II

CAS Number

1172-63-0

Molecular Formula

C22H30O5

Molecular Weight

374.47

Accurate Mass

374.2093

Flash Point

SMILES

CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]2[C@@H](\C=C(/C)\C(=O)OC)C2(C)C

InChI

InChI=1S/C22H30O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1

IUPAC

(S)-2-methyl-4-oxo-3-((Z)-pent-2-en-1-yl)cyclopent-2-en-1-yl (1R,3R)-3-((E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

Product Data

Storage Temperature

-80°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

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