CAS Number
Molecular Formula
C89H102ClN9O36
Product format
Neat
Molecular Weight
1909.27
API Family
Synonyms
Avoparcin-alpha; Avoparcin alpha; 73957-86-5; I4J49AU691; DTXSID001016501; alpha-Avoparcin; RefChem:915485; DTXCID001474690; 277-650-9; (1S, 2R, 18R, 19R, 22S, 25R, 28R, 40S)-2-((2R, 4R, 5R, 6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-48-((2S, 4S, 5S, 6R)-3-((2R, 4R, 5R, 6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-5-chloro-18, 32, 35, 37-tetrahydroxy-22-(4-hydroxyphenyl)-19-(((2R)-2-(methylamino)-2-(4-((2S, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-methyloxan-2-yl)oxyphenyl)acetyl)amino)-20, 23, 26, 42, 44-pentaoxo-7, 13-dioxa-21, 24, 27, 41, 43-pentazaoctacyclo(26.14.2.23, 6.214, 17.18, 12.129, 33.010, 25.034, 39)pentaconta-3, 5, 8, 10, 12(48), 14(47), 15, 17(46), 29(45), 30, 32, 34(39), 35, 37 and 49-pentadecaene-40-carboxylic acid; UNII-I4J49AU691; EINECS 277-650-9; .ALPHA.-AVOPARCIN; AVOPARCIN-.ALPHA.; SCHEMBL9625213; .ALPHA.-AVOPARCIN [MI]; NS00066758
Iupac Name
(1S, 18R, 19R, 22S, 25R, 28R, 40R)-4-[(2S, 4R, 5R, 6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-48-[(2S, 3R, 4S, 5S, 6R)-3-[(2S, 4R, 5R, 6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-49-chloro-32, 35, 37-trihydroxy-22-(4-hydroxyphenyl)-19-[[(2S)-2-(methylamino)-2-[4-[(2S, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]acetyl]amino]-20, 23, 26, 42, 44-pentaoxo-18-[(2R, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7, 13-dioxa-21, 24, 27, 41, 43-pentazaoctacyclo[26.14.2.23, 6.214, 17.18, 12.129, 33.010, 25.034, 39]pentaconta-3(50), 4, 6(49), 8, 10, 12(48), 14(47), 15, 17(46), 29(45), 30, 32, 34(39), 35 and 37-pentadecaene-40-carboxylic acid
InChI
InChI=1S/C89H102ClN9O36/c1-31-67(106)47(91)26-58(124-31)130-52-28-53-46(90)20-38(52)21-49-80(116)98-65(86(122)123)45-24-41(103)25-51(105)60(45)44-19-37(11-18-50(44)104)63(82(118)94-49)96-84(120)64-39-22-54(78(55(23-39)129-53)135-89-79(74(113)71(110)57(30-101)132-89)133-59-27-48(92)68(107)32(2)125-59)127-42-16-9-36(10-17-42)77(134-88-76(115)73(112)70(109)56(29-100)131-88)66(85(121)95-62(83(119)97-64)35-5-12-40(102)13-6-35)99-81(117)61(93-4)34-7-14-43(15-8-34)128-87-75(114)72(111)69(108)33(3)126-87/h5-20,22-25,28,31-33,47-49,56-59,61-77,79,87-89,93,100-115H,21,26-27,29-30,91-92H2,1-4H3,(H,94,118)(H,95,121)(H,96,120)(H,97,119)(H,98,116)(H,99,117)(H,122,123)/t31-,32-,33-,47+,48+,49-,56-,57+,58-,59-,61-,62-,63+,64+,65+,66+,67-,68-,69-,70-,71+,72+,73+,74-,75+,76+,77+,79+,87-,88-,89-/m0/s1
