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Chemical structure of Milbemycin A4

GC44194

Milbemycin A4

Also known as (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

Milbemycin A4 is the prominent member of a complex family of macrocyclic lactones that contain a characteristic spiroketal group produced from the fermentation of soil bacterium S

ChemicalCAS51596-11-3MW542.7FormulaC32H46O7
CAS number
51596-11-3
Molecular weight
542.7
Formula
C32H46O7
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
VOZIAWLUULBIPN-LRBNAKOISA-N
Catalogue number
GC44194
Brand
GLPBIO
Computed properties PubChem CID 9959038 · XLogP 3.6 · TPSA 94.5 Ų · H-bond donors 2
XLogP
3.6
TPSA
94.5 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
39

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

Computed descriptors from PubChem (CID 9959038), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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