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Milbemectin

CAT: 0013-GTR19233019-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233019-01Size:5 mg
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Description
Milbemectin is a 30:70 blend of milbemycins A3 and A4, acting as an allosteric agonist of insect GABA receptors like Drosophila RDL. It is used in research for its acaricidal and nematocidal activities against pests such as spider mites, C. elegans, and the pinewood nematode (Bursaphelenchus xylophilus) in both in vitro and in vivo studies.
CAS Number
1799297-76-9
Field of Research
Neuroscience
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (20 mg/ml) ; or Ethanol (40 mg/ml)
Molecular Formula
C32H46O7 (A4)
Molecular Weight
542.7 (A4)
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
Milbemectin is a mixture of Milbemycin A3 (~30%) and Milbemycin A4 (~70%) Milbemycin A3: (6R,25R) -5-O-demethyl-28-deoxy-6,28-epoxy-25-methyl-milbemycin B Milbemycin A4: (6R,25R) -5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-milbemycin B

Chemical Information

(1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
CAS Number1799297-76-9
PubChem CID137699984
IUPAC Name(1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Molecular FormulaC63H90O14
Molecular Weight1071.4
Topological Polar Surface Area189
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count1
Heavy Atom Count77
Formal Charge0
Complexity2100
SMILES
CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(\C[C@H](/C=C\C=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)/C)C.C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(\C[C@H](/C=C\C=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)/C)O[C@@H]1C
InChI
InChI=1S/C32H46O7.C31H44O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35;1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3;6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b8-7-,20-10-,23-9?;7-6-,19-9-,23-8?/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+;18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m00/s1
InChIKey
YSKQMQHQUJEAQB-NGIMVEPTSA-N
Chemical Structure
2D Structure
2D structure of (1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10Z,13R,14Z,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
CAS: 1799297-76-9
CID: 137699984
Formula: C63H90O14
MW: 1071.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1071.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count1
Exact Mass1070.63305754
Monoisotopic Mass1070.63305754
Topological Polar Surface Area189 Ų
Heavy Atom Count77
Formal Charge0
Complexity2100
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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