(2r)-3-[[(2r,3r,4r,5s,6s)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxy-5-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2e,6e)-11-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-3,8,8-trimethyldodeca-2,6,11-trienoxy]propanoic acid

Structural Information

Molecular Formula

C₆₉H₁₀₈N₅O₃₅P

SMILES

C/C(=C\CO[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@]([C@H](O1)C(=O)N)(C)O)OC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(CCC6=O)O)O)O)O)O)NC(=O)C)O)NC(=O)C)C(=O)O)/CC/C=C/C(C)(C)CCC(=C)CC7C(=C)CCCC7(C)C

InChI

InChI=1S/C69H108N5O35P/c1-29(14-11-12-20-67(6,7)22-18-30(2)24-34-31(3)15-13-21-68(34,8)9)19-23-97-40(60(91)92)28-99-110(95,96)109-65-55(56(108-66(71)93)69(10,94)57(107-65)58(70)89)106-62-43(73-33(5)78)46(83)53(39(102-62)27-98-63-50(87)47(84)44(81)37(25-75)100-63)103-61-42(72-32(4)77)45(82)52(38(26-76)101-61)104-64-51(88)48(85)49(86)54(105-64)59(90)74-41-35(79)16-17-36(41)80/h12,19-20,34,37-40,42-57,61-65,75-76,79,81-88,94H,2-3,11,13-18,21-28H2,1,4-10H3,(H2,70,89)(H2,71,93)(H,72,77)(H,73,78)(H,74,90)(H,91,92)(H,95,96)/b20-12+,29-19+/t34?,37-,38-,39-,40-,42-,43-,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,54+,55-,56-,57-,61+,62+,63-,64-,65-,69+/m1/s1

InChIKey

CJEVNOPGHRTYFE-ANXIEQJKSA-N

Compound name

(2R)-3-[[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxy-5-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2E,6E)-11-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-3,8,8-trimethyldodeca-2,6,11-trienoxy]propanoic acid

Related CIDs

• CID 102472988