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Spinosyn A aglycone

CAT: 0931-TYD-02755-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-02755-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149560-97-4
Target
Others
Related Pathways
Others
Bioactivity
Spinosyn Aaglycone ((-) -Spinosyn A aglycon) is the glycosidic form of the insecticide Spinosyn A. It is an acidic degradation product resulting from the hydrolysis of two sugar moieties on Spinosyn A.
Smiles
O[C@H]1C[C@]2([C@]3([C@]([C@]4(C(=C3)C(=O)[C@H](C)[C@@H](O)CCC[C@H](CC)OC(=O)C4)[H])(C=C[C@@]2(C1)[H])[H])[H])[H]
Molecular Formula
C24H34O5
Molecular Weight
402.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spinosyn A aglycone
CAS Number149560-97-4
PubChem CID10787308
IUPAC Name(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Molecular FormulaC24H34O5
Molecular Weight402.5
XLogP2.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity710
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)O
InChI
InChI=1S/C24H34O5/c1-3-16-5-4-6-22(26)13(2)24(28)21-11-19-17(20(21)12-23(27)29-16)8-7-14-9-15(25)10-18(14)19/h7-8,11,13-20,22,25-26H,3-6,9-10,12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20+,22+/m1/s1
InChIKey
DIHUILSVOGYVDG-MRAVEKNJSA-N
Chemical Structure
2D Structure
2D structure of Spinosyn A aglycone
CAS: 149560-97-4
CID: 10787308
Formula: C24H34O5
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass402.24062418
Monoisotopic Mass402.24062418
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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