[(1r,2r,4s,5r,10s,13r,17s,21r,22r,23s)-2-acetyloxy-10-[(2r,3r,4s,5r,6r)-4-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-[(e)-2-methylbut-2-enoyl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₆₆H₁₀₄O₂₈

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(CC2[C@@]13[C@@H](C[C@@]4([C@@]2(CCC5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)O[C@@H]3O)C)OC(=O)C)(C)C)OC(=O)/C(=C/C)/C

InChI

InChI=1S/C66H104O28/c1-14-27(3)53(80)92-51-52(93-54(81)28(4)15-2)66-36(22-60(51,7)8)65(94-59(66)82)21-17-35-62(11)19-18-37(61(9,10)34(62)16-20-63(35,12)64(65,13)23-38(66)84-30(6)70)88-58-50(91-56-47(79)44(76)40(72)31(24-67)85-56)48(42(74)33(26-69)87-58)89-57-49(45(77)41(73)32(25-68)86-57)90-55-46(78)43(75)39(71)29(5)83-55/h14-15,29,31-52,55-59,67-69,71-79,82H,16-26H2,1-13H3/b27-14+,28-15+/t29-,31+,32+,33+,34?,35?,36?,37-,38+,39-,40-,41-,42+,43+,44-,45-,46+,47+,48-,49+,50+,51-,52-,55-,56-,57-,58-,59-,62-,63+,64-,65-,66+/m0/s1

InChIKey

FKUVPOSFKAYMMT-ODWVMZGBSA-N

Compound name

[(1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-2-acetyloxy-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-[(E)-2-methylbut-2-enoyl]oxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 6478548