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Spinosyn D aglycone

CAT: 0543-S089-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0543-S089-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149439-79-2
Applications
Plant Biology.
Purity
>95% by HPLC
Molecular Formula
C25H36O5
Molecular Weight
416.6
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Spinosyn D aglycone
CAS Number149439-79-2
PubChem CID10621847
IUPAC Name(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Molecular FormulaC25H36O5
Molecular Weight416.5
XLogP2.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity753
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)C)O)C)O
InChI
InChI=1S/C25H36O5/c1-4-16-6-5-7-23(27)14(3)25(29)22-11-20-18(21(22)12-24(28)30-16)8-13(2)17-9-15(26)10-19(17)20/h8,11,14-21,23,26-27H,4-7,9-10,12H2,1-3H3/t14-,15-,16+,17+,18-,19-,20-,21+,23+/m1/s1
InChIKey
XJXGESFEOGOUOJ-OSPFSVQDSA-N
Chemical Structure
2D Structure
2D structure of Spinosyn D aglycone
CAS: 149439-79-2
CID: 10621847
Formula: C25H36O5
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass416.25627424
Monoisotopic Mass416.25627424
Topological Polar Surface Area83.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity753
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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Alternative Products

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