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Spinosyn F

CAT: 1596-AR-S11206-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S11206-01Size:10 Units
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CAS Number
131929-65-2
Synonyms
(2R,3aS,5aR,5bS,9S,13S,16aS,16bR) -9-ethyl-13- (((2R,5S,6R) -6-methyl-5- (methylamino) tetrahydro-2H-pyran-2-yl) oxy) -2- (((2R,3R,4R,5S,6S) -3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d][1]oxacyclododecine-7,15-dione
Molecular Formula
C40H63NO10
Molecular Weight
717.94
API Name
Spinosyn

Chemical Information

Spinosyn F

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CAS Number131929-65-2
PubChem CID101045611
IUPAC Name(1S,2R,5S,7R,9R,10S,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Molecular FormulaC40H63NO10
Molecular Weight717.9
XLogP4.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count51
Formal Charge0
Complexity1260
SMILES
CC[C@H]1CCC[C@@H](CC(=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)O[C@H]6CC[C@@H]([C@H](O6)C)N(C)C
InChI
InChI=1S/C40H63NO10/c1-9-25-11-10-12-26(50-36-16-15-33(41(4)5)22(2)47-36)19-34(42)32-20-30-28(31(32)21-35(43)49-25)14-13-24-17-27(18-29(24)30)51-40-39(46-8)38(45-7)37(44-6)23(3)48-40/h13-14,20,22-31,33,36-40H,9-12,15-19,21H2,1-8H3/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,33+,36+,37+,38-,39-,40+/m1/s1
InChIKey
FFIZYSCEKYLFND-QFBYCNMNSA-N
Chemical Structure
2D Structure
2D structure of Spinosyn F
CAS: 131929-65-2
CID: 101045611
Formula: C40H63NO10
MW: 717.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight717.9
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass717.44519721
Monoisotopic Mass717.44519721
Topological Polar Surface Area111 Ų
Heavy Atom Count51
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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