1-Deoxy-1-amino-4,6-O-benzylidene-fructosyl-amphotericin B

Molecular Formula: C₆₇H₁₀₄N₂O₂₇

InChI: InChI=1/C60H87NO22.C7H17NO5/c1-34-20-16-13-11-9-7-5-6-8-10-12-14-19-23-42(81-59-55(74)51(53(72)37(4)80-59)61-32-46(68)54(73)56-47(69)33-78-58(82-56)38-21-17-15-18-22-38)29-48-50(57(75)76)45(67)31-60(77,83-48)30-41(64)27-44(66)43(65)25-24-39(62)26-40(63)28-49(70)79-36(3)35(2)52(34)71;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-23,34-37,39-45,47-48,50-56,58-59,61-67,69,71-74,77H,24-33H2,1-4H3,(H,75,76);4-13H,2-3H2,1H3/b6-5-,9-7-,10-8-,13-11-,14-12-,20-16-,23-19-;/t34-,35-,36-,37+,39+,40+,41-,42-,43+,44+,45-,47+,48-,50+,51-,52+,53+,54+,55-,56+,58u,59-,60+;4-,5+,6+,7+/m00/s1/f/h75H;

InChIKey: InChIKey=JSUJKMOBITWFIW-SHVPAGQWDU
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NCC(=O)C(C4C(COC(O4)C5=CC=CC=C5)O)O)O.CNCC(C(C(C(CO)O)O)O)O

Names:
    Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
    D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B (1:1)
    MS 8209
    MS-8209
    (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-4-[[(3S)-3-hydroxy-3-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-oxo-propyl]amino]-6-methyl-oxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
    1-Deoxy-1-amino-4,6-O-benzylidene-fructosyl-amphotericin B
    136458-97-4

Registries:
    PubChem CID 6436189
    PubChem ID 214631