Analyte Name

Amphotericin-D-glucamine Urea

Molecular Formula

C53H84N2O23

Molecular Weight

1117.25

SMILES

O=C([C@H]1[C@]2([H])C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NC(NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@@H](C)COC(C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O2)(O)C[C@@H]1O)=O)O

InChI

InChI=1S/C53H84N2O23/c1-29-16-14-12-10-8-6-4-5-7-9-11-13-15-17-35(77-51-49(70)44(46(67)31(3)76-51)55-52(73)54-26-39(63)47(68)48(69)40(64)27-56)23-41-43(50(71)72)38(62)25-53(74,78-41)24-34(59)21-37(61)36(60)19-18-32(57)20-33(58)22-42(65)75-28-30(2)45(29)66/h4-17,29-41,43-49,51,56-64,66-70,74H,18-28H2,1-3H3,(H,71,72)(H2,54,55,73)/b5-4+,8-6+,9-7+,12-10+,13-11+,16-14+,17-15+/t29-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39-,40+,41-,43+,44-,45+,46+,47+,48+,49-,51-,53+/m0/s1

IUPAC

(1R,3S,5R,6R,9R,11R,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoylamino]oxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-16,18-dimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

Country of Origin

CANADA

Product Format

Neat