[(2r,3s,4s,5s,6r)-6-[[(3e,5e,8s,9e,11s,12r,13e,15e,18r)-12-[(2r,3s,4r,5s)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8,17-dihydroxy-18-[(1r)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

Structural Information

Molecular Formula

C₅₂H₇₄Cl₂O₁₉

SMILES

CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C(/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)O)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C

InChI

InChI=1S/C52H74Cl2O19/c1-13-29-21-25(6)32(56)18-16-15-17-30(22-67-51-45(66-12)41(62)44(28(9)68-51)70-49(65)34-31(14-2)35(53)38(59)36(54)37(34)58)48(64)69-43(27(8)55)33(57)20-24(5)19-26(7)42(29)71-50-40(61)39(60)46(52(10,11)73-50)72-47(63)23(3)4/h15-17,19-21,23,27-29,32-33,39-46,50-51,55-62H,13-14,18,22H2,1-12H3/b16-15+,24-20+,25-21+,26-19+,30-17+/t27-,28-,29+,32+,33?,39-,40+,41+,42+,43-,44-,45+,46+,50-,51-/m1/s1

InChIKey

UNNRXBOOMDZKQB-KCTDCOOSSA-N

Compound name

[(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18R)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8,17-dihydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

Related CIDs

• CID 170455854