CAS Number
Molecular Formula
C89H101Cl2N9O36
Product format
Neat
Molecular Weight
1943.71
API Family
Synonyms
Avoparcin-beta; 73957-87-6; W47D7146JL; DTXSID701016502; beta-Avoparcin; RefChem:1079620; DTXCID701474691; 277-651-4; (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-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(50), 4, 6(49), 8, 10, 12(48), 14(47), 15, 17(46), 29(45), 30, 32, 34(39), 35, 37-pentadecaene-40-carboxylic acid; Avoparcin beta; .BETA.-AVOPARCIN; AVOPARCIN-.BETA.; Avoparcin alpha, 49-chloro-; UNII-W47D7146JL; SCHEMBL6750931; .BETA.-AVOPARCIN [MI]; EINECS 277-651-4; AVOPARCIN .ALPHA. and 49-CHLORO; BRN 5698675
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-22-(3-chloro-4-hydroxyphenyl)-32, 35, 37-trihydroxy-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/C89H101Cl2N9O36/c1-30-67(107)46(92)25-58(125-30)131-52-27-53-45(91)19-37(52)20-48-80(117)99-65(86(123)124)43-23-39(103)24-51(106)60(43)42-17-35(9-15-49(42)104)62(82(119)95-48)96-84(121)64-38-21-54(78(55(22-38)130-53)136-89-79(74(114)71(111)57(29-102)133-89)134-59-26-47(93)68(108)31(2)126-59)128-40-13-7-34(8-14-40)77(135-88-76(116)73(113)70(110)56(28-101)132-88)66(85(122)97-63(83(120)98-64)36-10-16-50(105)44(90)18-36)100-81(118)61(94-4)33-5-11-41(12-6-33)129-87-75(115)72(112)69(109)32(3)127-87/h5-19,21-24,27,30-32,46-48,56-59,61-77,79,87-89,94,101-116H,20,25-26,28-29,92-93H2,1-4H3,(H,95,119)(H,96,121)(H,97,122)(H,98,120)(H,99,117)(H,100,118)(H,123,124)/t30-,31-,32-,46+,47+,48-,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
