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Spinetoram L

CAT: 0572-TRC-S683613-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S683613-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187166-15-0
Synonyms
(2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-2-[(6-Deoxy-3-O-ethyl-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-4,14-dimethyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione3'-O-Ethylspinosyn L; XDE 175L
Hazard Statement
May cause an allergic skin reaction; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@@H]3[C@@H](C2)C(=C[C@H]4[C@@H]5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@@H]([C@@H](C)O6)N(C)C)[C@@H](C)C(=O)C5=C[C@@H]34)C)[C@@H]1OC
Molecular Formula
C43H69NO10
Molecular Weight
760.01
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Spinetoram L
CAS Number187166-15-0
PubChem CID25217966
IUPAC Name(1S,2S,5R,7S,9S,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-19-ethyl-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Molecular FormulaC43H69NO10
Molecular Weight760.0
XLogP5.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count54
Formal Charge0
Complexity1350
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@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OCC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI
InChI=1S/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1
InChIKey
KWVYSEWJJXXTEZ-GDMNSMANSA-N
Chemical Structure
2D Structure
2D structure of Spinetoram L
CAS: 187166-15-0
CID: 25217966
Formula: C43H69NO10
MW: 760.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight760.0
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass759.49214740
Monoisotopic Mass759.49214740
Topological Polar Surface Area111 Ų
Heavy Atom Count54
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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