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Erythromycin estolate

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Erythromycin estolate

Erythromycin estolate

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CAT	APS3521628
CAS	3521-62-8
Structure
MDL Number	MFCD00084691
Synonyms	Erythromycin A Estolate, Erythromycin A 2'-propionate dodecyl sulfate, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-l-ribo-hexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-2-O-propionyl-ß-d-xylo-hexopyranosyl]oxy]oxacyclotetradecane-2,10-dione dodecyl sulfate
IUPAC Name	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate
Molecular Weight	1056.39
Molecular Formula	C40H71NO14.C12H26O4S
Canonical SMILES	CCCCCCCCCCCCOS(=O)(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChI	InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29
InChI Key	SKDGGFHGLZBNBC-CAHOBLCESA-N

Description	United States Pharmacopeia (USP) Reference Standard
Accurate Mass	1055.6426
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
Linear Formula	C40H71NO14 · C12H26SO4
Size	200MG
Type	API

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