[acetyl-[(2r,4r)-5-[(2s,4r)-5-[(2s,4r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,4s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-dimethyl-[(e)-2-methylbut-2-enoyl]oxy-[?]yl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula

C₅₇H₈₆O₂₄

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](CC3=CC[C@@]24[C@@]5(O4)CC[C@@H]([C@]5([C@@H]1OC(=O)/C(=C/C)/C)C)C(=O)C)O[C@H]6C[C@H](C(C(O6)C)O[C@H]7C([C@H](C(C(O7)C)O[C@H]8C([C@H](C(C(O8)CO)O[C@H]9C([C@H](C(C(O9)CO)O)O)O)O)O)OC)O)OC)C

InChI

InChI=1S/C57H86O24/c1-12-24(3)49(67)76-46-47-54(8)17-15-30(20-29(54)14-18-56(47)57(81-56)19-16-31(26(5)60)55(57,9)48(46)80-50(68)25(4)13-2)73-35-21-32(69-10)42(27(6)71-35)77-53-41(66)45(70-11)43(28(7)72-53)78-52-40(65)38(63)44(34(23-59)75-52)79-51-39(64)37(62)36(61)33(22-58)74-51/h12-14,27-28,30-48,51-53,58-59,61-66H,15-23H2,1-11H3/b24-12+,25-13+/t27?,28?,30-,31+,32+,33?,34?,35-,36?,37-,38+,39?,40?,41?,42?,43?,44?,45+,46-,47+,48+,51-,52-,53-,54-,55-,56-,57+/m0/s1

InChIKey

BRBHKUIHAUDBBK-XYKULZLUSA-N

Compound name

[(1S,3R,6S,7S,8S,9S,10S,11R,14S)-6-acetyl-14-[(2R,4R)-5-[(2S,4R)-5-[(2S,4R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-16-en-9-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 129909382