chempirical

Spinosad

C83H132N2O20CAS 168316-95-81477.96 g/mol

Open in Covalent MOL file
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AcetalAlkeneEsterEtherKetoneLactoneTertiary amine

Properties

Molecular formula
C83H132N2O20
Molar mass
1477.96 g/mol
Exact mass
1476.9373 Da
logP
11.36Crippen estimate
Polar surface area
222.4 Ų
H-bond donors / acceptors
0 / 22
Rotatable bonds
18
Stereocentres
S, S, R, S, R, R, S, R, S, R, R, R, S, S, R, S, R, S, S, R, S, S, S, R, S, S, R, R, R, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number
168316-95-8
SMILES
CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C.CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChIKey
JFLRKDZMHNBDQS-SGSTVUCESA-N
InChI
InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m11/s1

Weigh it out

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

Names and synonyms

34 names · show all
  • Tracer
  • Tracer naturalyte
  • Conserve
  • SpinTor
  • GF 120 fruit fly bait
  • Laser
  • Success
  • Laser (insecticide)
  • Spinosyn A-spinosyn D mixt.
  • GF 120 NF Naturalyte
  • Success naturalyte
  • Naturalyte
  • Entrust
  • Gardens alive bulls-eye
  • GF 120 naturalyte fruit fly bait
  • LY 232105
  • XDE 105
  • PP 105
  • Spinoace
  • GF 120
  • Spinosad NT
  • Extinosad
  • Blackhawk
  • Tracer naturalyte insect control
  • Comfortis
  • GF 1587
  • Success 4
  • Entrust WP
  • Spinosad 45% SC
  • Spinosad 45SC
  • Naturalure fruit fly bait
  • Naturalure
  • Spinosads
  • Monterey garden insect spray

Work with Spinosad

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

Spinosyn A131929-60-790 % similar Spinetoram J187166-40-168 % similar Spiramycin ii24916-51-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia