[(2r,3s,4r,5r,7s,9s,10s,11r,12s,13r)-2-[(2s)-1-[(2r,3r,4r,5r,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-10-[(2s,3r,4e,6r)-3-hydroxy-4-methoxyimino-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-4-(3-methylbutanoyloxy)-6,14-dioxo-12-[[(2s,7r)-2,4,5-trimethyl-1,4-oxazepan-7-yl]oxy]-oxacyclotetradec-7-yl] morpholine-4-carboxylate

Structural Information

Molecular Formula

C₅₅H₉₅N₃O₁₉

SMILES

C[C@@H]1C/C(=N\OC)/[C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3CC(N(C[C@@H](O3)C)C)C)C)[C@@H](C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)N5CCOCC5)C)O

InChI

InChI=1S/C55H95N3O19/c1-28(2)22-40(59)73-46-35(9)45(30(4)27-69-53-49(66-16)48(65-15)42(60)38(12)72-53)75-51(63)37(11)47(74-41-23-31(5)57(14)26-33(7)70-41)34(8)44(76-52-43(61)39(56-67-17)24-32(6)71-52)29(3)25-55(13,50(62)36(46)10)77-54(64)58-18-20-68-21-19-58/h28-38,41-49,52-53,60-61H,18-27H2,1-17H3/b56-39+/t29-,30-,31?,32+,33-,34+,35-,36+,37+,38+,41-,42+,43+,44-,45+,46+,47-,48+,49+,52-,53+,55-/m0/s1

InChIKey

XJFLZRXXXWPOFS-FPDUZZIGSA-N

Compound name

[(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-2-[(2S)-1-[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-10-[(2S,3R,4E,6R)-3-hydroxy-4-methoxyimino-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-4-(3-methylbutanoyloxy)-6,14-dioxo-12-[[(2S,7R)-2,4,5-trimethyl-1,4-oxazepan-7-yl]oxy]-oxacyclotetradec-7-yl] morpholine-4-carboxylate

Related CIDs

• CID 146001217