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Chemical structure of Pseudoerythromycin A enol ether

GC40851

Pseudoerythromycin A enol ether

Also known as (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

Pseudoerythromycin A enol ether is a degradation product of erythromycin

ChemicalCAS105882-69-7MW715.9FormulaC37H65NO12
CAS number
105882-69-7
Molecular weight
715.9
Formula
C37H65NO12
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
NMIWBQUQCOMGHJ-FYFYGOHNSA-N
Catalogue number
GC40851
Brand
GLPBIO
Computed properties PubChem CID 9875064 · XLogP 2.4 · TPSA 166 Ų · H-bond donors 4
XLogP
2.4
TPSA
166 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
50

SMILES CC[C@H]([C@](C)([C@H]1[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)O

Computed descriptors from PubChem (CID 9875064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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