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Milbemectin

CAT: 0931-TN7559-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7559-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1799297-76-9
Target
Others
Related Pathways
Others
Bioactivity
Milbemectin is composed of 30% milbemycin A3 and 70% milbemycin A4, exhibiting acaricidal and nematocidal properties effective against adult spider mites, their eggs, and C. elegans, with IC50 values of 5.3, 41.1, and 9.5 μg/ml, respectively. It functions as an allosteric agonist of the Drosophila RDL GABA receptor, and demonstrates efficacy against the pinewood nematode, B. xylophilus, with an LC20 of 0.0781 mg/liter.
Molecular Formula
C31H44O7 (A3) andC32H46O7 (A4)
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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bs-83105C-01Milbemectin
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