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Milbemycin A4

CAT: 0013-GTR19233094-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233094-02Size:5 mg
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Description
Milbemycin A4 is a macrocyclic lactone with a spiroketal group, produced by Streptomyces hygroscopicus subsp. aureolacrimosus. It functions as a potent nematocide and insecticide by potentiating glutamate and GABA-gated chloride channels. This mechanism supports its use in parasitology and neuroscience research, applicable in both in vitro and in vivo experimental models.
CAS Number
51596-11-3
Field of Research
Infectious Disease & Virology, Neuroscience, Pharmacology & Drug Discovery
Smiles
C[C@H] (C/C (C) =C/C[C@]1 ([H]) C[C@] ([H]) (O2) C[C@]3 (CC[C@H] (C) [C@@H] (CC) O3) O1) /C=C\C=C (CO4) /[C@@] ([C@@]4 ([H]) [C@H] (O) C (C) =C5) (O) [C@]5 ([H]) C2=O
Molecular Formula
C32H46O7
Molecular Weight
542.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Milbemycin A4

Milbemycin A4 is a milbemycin.

CAS Number51596-11-3
PubChem CID9959038
IUPAC Name(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,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 FormulaC32H46O7
Molecular Weight542.7
XLogP3.6
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count39
Formal Charge0
Complexity1060
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)C)C(=O)O3)O)C)\C)C
InChI
InChI=1S/C32H46O7/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/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27+,28+,29+,31+,32+/m0/s1
InChIKey
VOZIAWLUULBIPN-LRBNAKOISA-N
Chemical Structure
2D Structure
2D structure of Milbemycin A4
CAS: 51596-11-3
CID: 9959038
Formula: C32H46O7
MW: 542.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.7
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass542.32435380
Monoisotopic Mass542.32435380
Topological Polar Surface Area94.5 Ų
Heavy Atom Count39
Formal Charge0
Complexity1060
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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