chempirical

Pyrethrins

C43H56O8CAS 8003-34-7700.91 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C43H56O8
Molar mass
700.91 g/mol
Exact mass
700.3975 Da
Density
0.84–0.86 g/mL
logP
8.27Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
13
Stereocentres
S, R, R, S, R, Rin SMILES atom order
Double bonds
Z, E, ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
8003-34-7
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
InChIKey
VXSIXFKKSNGRRO-MXOVTSAMSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

29 names · show all
  • Pyrethrum FS
  • Pyganic
  • Biopiren plus
  • Take down garden spray
  • Take down
  • Pyrocide 50
  • Goldgeist forte
  • Spruzit
  • Pyrevert
  • Piresan
  • Pyganic MUP 20
  • Pyrethro vioryl 5SC
  • Pyrethrine
  • Pyrethrines
  • Pyrocide 175
  • Premium pyrocide 175
  • Pyrethrins and pyrethroids
  • Pyrethrum (insecticide)
  • Firmotox
  • Pyrethrum
  • Parexan
  • Pyre-sin Plus
  • Pyrethrins and Pyrethroids, esters
  • Pyrethrins and Pyrethroids, chrysanthemates
  • Chrysanthemates pyrethrins and pyrethroids
  • Pyrethrins, chrysanthemates
  • Nettafid
  • Diatect
  • Pyrellin

Work with Pyrethrins

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrethrin II121-29-995 % similar (+)-trans-Allethrin28434-00-666 % similar Allethrin584-79-266 % similar Allethrin84030-86-466 % similar Prallethrin23031-36-956 % similar Terallethrin15589-31-842 % similar (4-(Methoxymethyl)phenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate34388-29-938 % similar Ethyl chrysanthemate97-41-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook