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

Structural Information

Molecular Formula

C₅₁H₇₂Cl₂O₁₈

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)[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)O)O)\C

InChI

InChI=1S/C51H72Cl2O18/c1-12-29-21-25(6)32(55)17-15-14-16-30(22-65-49-41(60)39(58)44(28(9)66-49)68-48(64)34-31(13-2)35(52)38(57)36(53)37(34)56)47(63)67-33(27(8)54)19-18-24(5)20-26(7)43(29)69-50-42(61)40(59)45(51(10,11)71-50)70-46(62)23(3)4/h14-16,18,20-21,23,27-29,32-33,39-45,49-50,54-61H,12-13,17,19,22H2,1-11H3/b15-14+,24-18+,25-21+,26-20+,30-16+/t27-,28-,29+,32+,33+,39-,40-,41+,42+,43+,44-,45+,49-,50-/m1/s1

InChIKey

IEVHOUQCIDNGKB-HYYXINCFSA-N

Compound name

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

Related CIDs

• CID 147904023