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Evonine

CAT: 1410-M31210-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31210-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Evonine shows insecticidal activity against Mythimna separata, the LC50 value of 23.23 mg /mL.
CAS Number
33458-82-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
805.8
Molecular Formula
C38H47NO18
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

CID 477607

CID 477607 has been reported in Tripterygium wilfordii and Peritassa campestris with data available.

CAS Number33458-82-1
PubChem CID477607
IUPAC Name[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R)-18,19,21,22,24-pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
Molecular FormulaC38H47NO18
Molecular Weight805.8
XLogP0.5
Topological Polar Surface Area253
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Heavy Atom Count57
Formal Charge0
Complexity1680
SMILES
C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3(C2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17-,25+,27+,28-,29+,30-,31+,32-,35-,36?,37+,38-/m0/s1
InChIKey
PBFGAFDJVQAMRS-KCYQGYFWSA-N
Chemical Structure
2D Structure
2D structure of CID 477607
CAS: 33458-82-1
CID: 477607
Formula: C38H47NO18
MW: 805.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight805.8
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass805.27931365
Monoisotopic Mass805.27931365
Topological Polar Surface Area253 Ų
Heavy Atom Count57
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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