Pyrethrum - 50%

CAT: 0926-FP164932-01Size: 0.01 kgDry Ice: NoHazardous: No

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CAT#:0926-FP164932-01Size:0.01 kg

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CAS Number

8003-34-7

MDL Number

MFCD00078611

Smiles

CC1 (C) [C@H] ([C@@] (OC (C2) C (C) =C (C/C=C/C=C) C2=O) =O) C1/C=C (C) /C (OC) =O.CC3 (C) [C@H] ([C@@] (O[C@@H] (CC4=O) C (C) =C4C/C=C/C=C) =O) C3/C=C (C) \C

Molecular Formula

C21H28O3

Molecular Weight

328.45 g/mol

Controlled

Chemical Information

Pyrethrins

Pyrethrins, [solid] appears as colorless to white liquids (or tan dusts). Primarily a threat to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrate the soil, contaminate groundwater or nearby waterways. Toxic by inhalation, skin absorption and/or ingestion. Used as pesticide. Practically insoluble in water.

CAS Number	8003-34-7
PubChem CID	60202781
IUPAC Name	cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;cis-[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula	C43H56O8
Molecular Weight	700.9
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Heavy Atom Count	51
Formal Charge	0
Complexity	1390

SMILES

CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C/C=C\C=C.CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C/C=C\C=C

InChI

InChI=1S/C22H28O5.C21H28O3/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;1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3;7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+;9-8-/t2*16-,18+,19+/m11/s1

InChIKey

VXSIXFKKSNGRRO-MXOVTSAMSA-N

Chemical Structure

2D Structure

CAS: 8003-34-7

CID: 60202781

Formula: C43H56O8

MW: 700.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	700.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	16
Exact Mass	700.39751874
Monoisotopic Mass	700.39751874
Topological Polar Surface Area	113 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1390
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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C02413-5mg	Pyrethrum Extract
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S-3872A	Pyrethrum Extract or Pyrethrin II - 1ML

Pyrethrum - 50%

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