Analyte Name

13-O-Ethylamphotericin B

CAS Number

55298-62-9

Molecular Formula

C49H77NO17

Molecular Weight

952.13

Accurate Mass

951.5192

SMILES

CCO[C@]12C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@H](O1)[C@@H]([C@@H](O)C2)C(=O)O)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O

InChI

InChI=1S/C49H77NO17/c1-6-63-49-27-35(53)24-38(55)37(54)22-21-33(51)23-34(52)25-41(57)64-31(4)30(3)44(58)29(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-36(26-40(67-49)42(47(61)62)39(56)28-49)66-48-46(60)43(50)45(59)32(5)65-48/h7-20,29-40,42-46,48,51-56,58-60H,6,21-28,50H2,1-5H3,(H,61,62)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39-,40-,42+,43-,44+,45+,46-,48-,49+/m0/s1

IUPAC

(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1-ethoxy-3,5,6,9,11,17,37-heptahydroxy-15,16,18-trimethyl-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