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Jasmolin I

CAT: 0013-GTR19279309-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279309-01Size:50 mg
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Description
Jasmolin I ((-) -Jasmolin I) is a pyrethrin ester identified in the flower Chrysanthemum cinerariifolium. This compound acts as a safe insecticide and is known for its fast degradation properties.
CAS Number
4466-14-2
Smiles
C (O[C@@H]1C (C) =C (C/C=C\CC) C (=O) C1) (=O) [C@@H]2[C@@H] (C=C (C) C) C2 (C) C
Molecular Formula
C21H30O3
Molecular Weight
330.47
Notes
For research use only.

Chemical Information

Jasmolin I

Jasmolin I is a member of pyrethrins.

CAS Number4466-14-2
PubChem CID12304687
IUPAC Namecis-[(1S)-2-methyl-4-oxo-3-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP5.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity615
SMILES
CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C
InChI
InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1
InChIKey
NZKIRHFOLVYKFT-VUMXUWRFSA-N
Chemical Structure
2D Structure
2D structure of Jasmolin I
CAS: 4466-14-2
CID: 12304687
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area43.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W777613Jasmolin I
TRC-J210505-10MGJasmolin II
TRC-J210495-10MGJasmolin I + Cinerin I (Mixture)
452840-01Jasmolin II+ Cinerin II + Pyrethrin II (Mixture) discontinued

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