CAS Number
Molecular Formula
C83H92ClN9O31
Product format
Neat
Molecular Weight
174.71
Storage
+5ºC
Shipping
Room Temperature
API Family
Synonyms
Avoparcin; Avoparcina; Avoparcine; Avoparcinum; Avotan; Compound 254; Avotan 50; 37332-99-3; LL-AV290; AV-290; WJ13O9MNTI; CL 81, 588; C-254; CL 81, 587; RefChem:560424; DTXSID901053265; CL-81587; 253-466-4; (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-5-chloro-18, 20, 23, 26, 32, 35, 37, 42, 44-nonahydroxy-19-(((2R)-1-hydroxy-2-(methylamino)-2-(4-((2S, 3R, 4R, 5R, 6S)-3, 4, 5-trihydroxy-6-methyloxan-2-yl)oxyphenyl)ethylidene)amino)-22-(4-hydroxyphenyl)-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), 20, 23, 26, 29(45), 30, 32, 34(39), 35, 37, 41, 43 and 49-icosaene-40-carboxylic acid; UNII-WJ13O9MNTI
Iupac Name
(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
InChI
InChI=1S/C83H92ClN9O31/c1-30-64(99)46(85)27-54(115-30)122-72-37-12-20-50(45(84)22-37)120-52-24-38-23-51(73(52)124-83-74(70(105)68(103)53(29-94)121-83)123-55-28-47(86)65(100)31(2)116-55)118-41-17-9-35(10-18-41)67(102)62(92-75(107)57(87-4)33-7-15-42(16-8-33)119-82-71(106)69(104)66(101)32(3)117-82)79(111)88-58(34-5-13-39(95)14-6-34)76(108)90-60(38)78(110)89-59-36-11-19-48(97)43(21-36)56-44(25-40(96)26-49(56)98)61(81(113)114)91-80(112)63(72)93-77(59)109/h5-26,30-32,46-47,53-55,57-72,74,82-83,87,94-106H,27-29,85-86H2,1-4H3,(H,88,111)(H,89,110)(H,90,108)(H,91,112)(H,92,107)(H,93,109)(H,113,114)/t30-,31-,32-,46+,47+,53+,54-,55-,57+,58-,59+,60+,61-,62+,63-,64-,65-,66-,67+,68+,69+,70-,71+,72+,74?,82-,83-/m0/s1
