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Milbemycin α10

CAT: 0013-GTR19255484-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255484-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Milbemycin α10 is a macrocyclic lactone antibiotic that exhibits insecticidal properties against agricultural pests, aphids, and larvae.
CAS Number
51596-15-7
Field of Research
Infectious Disease & Virology
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-ethyl-27-((1H-pyrrol-2-ylcarbonyl)oxy)milbemycin B
CAS Number51596-15-7
PubChem CID76871848
IUPAC Name[(1R,4S,5'S,6R,6'R,8R,10Z,13R,14E,16E,20R,21R,24S)-6'-ethyl-21,24-dihydroxy-5',11,13-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl 1H-pyrrole-2-carboxylate
Molecular FormulaC37H49NO9
Molecular Weight651.8
XLogP3.7
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count47
Formal Charge0
Complexity1310
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=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COC(=O)C6=CC=CN6)C(=O)O3)O)C)/C)C
InChI
InChI=1S/C37H49NO9/c1-5-31-24(4)13-14-36(47-31)19-28-18-27(46-36)12-11-23(3)16-22(2)8-6-9-26-21-43-33-32(39)25(17-29(34(40)45-28)37(26,33)42)20-44-35(41)30-10-7-15-38-30/h6-11,15,17,22,24,27-29,31-33,38-39,42H,5,12-14,16,18-21H2,1-4H3/b8-6+,23-11-,26-9+/t22-,24-,27+,28-,29-,31+,32+,33+,36+,37+/m0/s1
InChIKey
GBWJSZIODNWKON-SFWUPPPGSA-N
Chemical Structure
2D Structure
2D structure of (6R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-ethyl-27-((1H-pyrrol-2-ylcarbonyl)oxy)milbemycin B
CAS: 51596-15-7
CID: 76871848
Formula: C37H49NO9
MW: 651.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.8
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass651.34073214
Monoisotopic Mass651.34073214
Topological Polar Surface Area137 Ų
Heavy Atom Count47
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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