methyl (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-2,2-dimethyl-6-[(2S,3S)-4-methyl-3-[(2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-phenyl-propanoyl]oxy-pentan-2-yl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyl-dodeca-2,4,6,8,10-pentaenoate

Systemtic Name: methyl (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-2,2-dimethyl-6-[(2S,3S)-4-methyl-3-[(2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-phenyl-propanoyl]oxy-pentan-2-yl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[[(2S)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]oxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyl-dodeca-2,4,6,8,10-pentaenoate Openeye Name: methyl (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-6-[(1S,2S)-1,3-dimethyl-2-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenyl-propanoyl]oxy-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyl-dodeca-2,4,6,8,10-pentaenoate CAS Name: (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-2,2-dimethyl-6-[(2S,3S)-4-methyl-3-[(2S)-3,3,3-trifluoro-2-hydroxy-1-oxo-2-phenylpropoxy]pentan-2-yl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[(2S)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyldodeca-2,4,6,8,10-pentaenoic acid methyl ester IUPAC Name: methyl (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-2,2-dimethyl-6-[(2S,3S)-4-methyl-3-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]oxypentan-2-yl]-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyldodeca-2,4,6,8,10-pentaenoate Traditional Name: (2E,4E,6E,8E,10E)-12-[(2S,4R,6R,8R,10R)-10-[(E)-3-[(4R,6R)-6-[[(4S,6S)-6-[(1S,2S)-1,3-dimethyl-2-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenyl-propanoyl]oxy-butyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-1-enyl]-2,8-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]oxy]-5,11-dioxaspiro[5.5]undecan-4-yl]-2-methyl-dodeca-2,4,6,8,10-pentaenoic acid methyl ester Formula: C74H89F9O17 MolecularWeight: 1421.473889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C1CC(OC(O1)(C)C)CC2CC(OC(O2)(C)C)CC=CC3CC(CC4(O3)CC(CC(O4)CC=CC=CC=CC=CC=C(C)C(=O)OC)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC)OC(=O)C(C6=CC=CC=C6)(C(F)(F)F)OC)OC(=O)C(C7=CC=CC=C7)(C(F)(F)F)O

Isomeric SMILES

C[C@@H]([C@@H]1C[C@@H](OC(O1)(C)C)C[C@H]2C[C@H](OC(O2)(C)C)C/C=C/[C@H]3C[C@H](C[C@]4(O3)C[C@H](C[C@H](O4)C/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)OC)OC(=O)[C@@](C5=CC=CC=C5)(C(F)(F)F)OC)OC(=O)[C@@](C6=CC=CC=C6)(C(F)(F)F)OC)[C@H](C(C)C)OC(=O)[C@@](C7=CC=CC=C7)(C(F)(F)F)O

InChI

InChI=1S/C74H89F9O17/c1-47(2)61(94-63(85)69(88,72(75,76)77)50-31-22-18-23-32-50)49(4)60-44-57(97-67(7,8)100-60)43-56-40-53(95-66(5,6)96-56)38-29-39-55-42-59(93-65(87)71(91-11,74(81,82)83)52-35-26-20-27-36-52)46-68(99-55)45-58(92-64(86)70(90-10,73(78,79)80)51-33-24-19-25-34-51)41-54(98-68)37-28-17-15-13-12-14-16-21-30-48(3)62(84)89-9/h12-36,39,47,49,53-61,88H,37-38,40-46H2,1-11H3/b14-12+,15-13+,21-16+,28-17+,39-29+,48-30+/t49-,53+,54+,55-,56+,57-,58-,59+,60-,61-,68+,69-,70-,71-/m0/s1