Spiramycin II
Molecular Formula:
C45H76N2O15
InChI: InChI=1/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey: InChIKey=ZPCCSZFPOXBNDL-RSMXASMKBS
SMILES: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C
Names:
acetylspiramycin
C12891
Spiramycin II
24916-51-6
[(2R,4E,6E,8R,9R,11R,12S,13R,14R)-12-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-8-[(2R,5S,6S)-5-dimethylamino-6-methyl-oxan-2-yl]oxy-13-methoxy-2,9-dimethyl-16-oxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-14-yl] acetate
Registries:
PubChem CID 5282173
PubChem ID 583280
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