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(+)-aplasmomycin A boron oxoanion that has formula C40H60BNaO14.
(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-\{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy\}-14-ethyl-7,12-dihydroxy-4-\{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy\}-13-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
20-oxo-5-O-beta-mycaminosyltylactone
5-O-beta-D-mycaminosyl-20-oxotylonolide
5-O-beta-D-mycaminosyltylactone
5-O-mycaminosyltylonolide
hydroperoxo(trihydroxo)borate(1-)
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Synonyms |
Exact Synonyms: |
sodium [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-12,29-dihydroxy-1,2,18,19-tetra(hydroxy-kappaO)-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.1(5,8).1(14,18).1(22,25)]octatriaconta-9,26-diene-3,20-dionato(4-)]borate(1-)
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Related Synonyms: |
Formula=C40H60BNaO14
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InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1
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InChIKey=GEIYDRPAWIMINR-ZDKANEFWSA-N
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SMILES=[Na+].[H][C@]12C[C@]([H])(OC(=O)[C@]3([H])O[B-]45O[C@@]([H])(C(=O)O[C@@]6([H])C[C@]([H])(O[C@@H]6C)\\C=C\\C[C@@H](O)C(C)(C)[C@]6([H])CC[C@@H](C)[C@]3(O6)O4)[C@@]3(O[C@@]([H])(CC[C@H]3C)C(C)(C)[C@H](O)C\\C=C\\1)O5)[C@@H](C)O2
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Xrefs: |
Beilstein:5801225
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CAS:61230-25-9 |
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