Acemanan

Structural Information

Molecular Formula

C₆₆H₁₀₁NO₄₉

SMILES

CC(=O)N[C@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2OC(=O)C)O)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3OC(=O)C)O)O[C@@H]4[C@H](O[C@H]([C@H]([C@H]4OC(=O)C)O)OC)CO)CO)CO)CO)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)OC)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)O

InChI

InChI=1S/C66H101NO49/c1-18(75)67-33-34(83)42(26(11-68)102-59(33)110-44-29(14-71)106-63(38(87)51(44)97-21(4)78)113-46-30(15-72)107-64(39(88)53(46)99-23(6)80)111-45-28(13-70)103-60(94-10)35(84)50(45)96-20(3)77)109-61-37(86)52(98-22(5)79)48(32(17-74)105-61)114-66-41(90)55(101-25(8)82)56(57(116-66)58(91)92)115-65-40(89)54(100-24(7)81)47(31(16-73)108-65)112-62-36(85)49(95-19(2)76)43(93-9)27(12-69)104-62/h26-57,59-66,68-74,83-90H,11-17H2,1-10H3,(H,67,75)(H,91,92)/t26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,59+,60-,61+,62+,63+,64+,65+,66-/m1/s1

InChIKey

XOYXESIZZFUVRD-YGGZJJQXSA-N

Compound name

(2S,3S,4R,5S,6R)-6-[(2R,3R,4R,5S,6S)-6-[(2R,3S,4S,5S,6S)-5-acetamido-6-[(2R,3R,4R,5S,6S)-4-acetyloxy-6-[(2R,3R,4R,5S,6S)-4-acetyloxy-6-[(2R,3R,4R,5S,6R)-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-3-[(2S,3S,4R,5R,6R)-4-acetyloxy-5-[(2S,3S,4R,5R,6R)-4-acetyloxy-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxane-2-carboxylic acid

Related CIDs

• CID 72041
• CID 21883405
• CID 134129847