[(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethanoyloxy]cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-2-yl]methoxy]-2-methyl-4,5-bis[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-3-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethanoyloxy]cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-2-yl]methoxy]-2-methyl-4,5-bis[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-3-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-3-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoroacetyl)oxy-cyclohex-2-en-1-yl]-1-methyl-allyloxy]-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-2-yl]methoxy]-2-methyl-4,5-bis[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-3-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoro-1-oxoethoxy)-1-cyclohex-2-enyl]but-3-en-2-yl]oxy-3,4,5-tris(2,2,2-trifluoro-1-oxoethoxy)-2-oxanyl]methoxy]-2-methyl-4,5-bis(2,2,2-trifluoro-1-oxoethoxy)-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoroacetyl)oxycyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]methoxy]-2-methyl-4,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-3-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [(2S,3S,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E)-3-[4-keto-6,6-dimethyl-1-(2,2,2-trifluoroacetyl)oxy-cyclohex-2-en-1-yl]-1-methyl-allyloxy]-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-2-yl]methoxy]-2-methyl-4,5-bis[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-3-yl] ester Formula: C38H31F21O19 MolecularWeight: 1190.607807

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)C=CC3(C=CC(=O)CC3(C)C)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(C)/C=C/C3(C=CC(=O)CC3(C)C)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C38H31F21O19/c1-11(5-7-31(78-29(67)38(57,58)59)8-6-13(60)9-30(31,3)4)69-22-20(77-28(66)37(54,55)56)18(75-26(64)35(48,49)50)16(73-24(62)33(42,43)44)14(71-22)10-68-21-19(76-27(65)36(51,52)53)17(74-25(63)34(45,46)47)15(12(2)70-21)72-23(61)32(39,40)41/h5-8,11-12,14-22H,9-10H2,1-4H3/b7-5+/t11?,12-,14+,15-,16+,17+,18-,19+,20+,21+,22+,31?/m0/s1