CAS Number
Molecular Formula
C55H68N9O23S.Na
Product format
Neat
Molecular Weight
1255.25 22.99
API Family
Synonyms
1392514-03-2; Desmethyl Micafungin Sodium salt; UHV9M4L7KH; Desmethyl Micafungin Sodium; Desmethyl Micafungin (Na Salt); SCHEMBL20982028; Micafungin Impurity 14 Sodium Salt; Pneumocandin B0, 1-[(4R, 5R)-4, 5-dihydroxy-N2-[4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]benzoyl]-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]- and sodium salt (1:1)
Iupac Name
sodium [5-[(1S, 2S)-2-[(3S, 6S, 9S, 11R, 15S, 18S, 20R, 21R, 24S, 25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11, 20, 21, 25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2, 5, 8, 14, 17, 23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1, 2-oxazol-3-yl]benzoyl]amino]-1, 4, 7, 13, 16, 22-hexazatricyclo[22.3.0.09, 13]heptacosan-6-yl]-1 and 2-dihydroxyethyl]-2-hydroxyphenyl] sulfate
InChI
InChI=1S/C55H69N9O23S.Na/c1-3-4-5-18-85-31-13-10-27(11-14-31)39-22-32(62-86-39)26-6-8-28(9-7-26)48(74)57-33-21-38(70)51(77)61-53(79)45-36(68)16-17-63(45)55(81)43(37(69)23-41(56)71)59-52(78)44(47(73)46(72)29-12-15-35(67)40(19-29)87-88(82,83)84)60-50(76)34-20-30(66)24-64(34)54(80)42(25(2)65)58-49(33)75;/h6-15,19,22,25,30,33-34,36-38,42-47,51,65-70,72-73,77H,3-5,16-18,20-21,23-24H2,1-2H3,(H2,56,71)(H,57,74)(H,58,75)(H,59,78)(H,60,76)(H,61,79)(H,82,83,84);/q;+1/p-1/t25-,30-,33+,34+,36+,37-,38-,42+,43+,44+,45+,46+,47+,51-;/m1./s1
