[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-2-(hexadecanoylamino)-1-(triphenylmethyl)oxy-octadec-4-en-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-2-(hexadecanoylamino)-1-(triphenylmethyl)oxy-octadec-4-en-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-4,5-diacetoxy-6-[(E,1R)-1-[(1S)-1-(hexadecanoylamino)-2-trityloxy-ethyl]hexadec-2-enoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-2-(1-oxohexadecylamino)-1-(triphenylmethyl)oxyoctadec-4-en-3-yl]oxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-[(E,2S,3R)-2-(hexadecanoylamino)-1-trityloxyoctadec-4-en-3-yl]oxy-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-4,5-diacetoxy-6-[(E,1R)-1-[(1S)-1-palmitamido-2-trityloxy-ethyl]hexadec-2-enoxy]-3-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C79H115NO20 MolecularWeight: 1398.7531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C=CCCCCCCCCCCCCC)OC4C(C(C(C(O4)COC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@@H](/C=C/CCCCCCCCCCCCC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C79H115NO20/c1-10-12-14-16-18-20-22-24-26-28-30-32-43-51-67(66(80-70(88)52-44-33-31-29-27-25-23-21-19-17-15-13-11-2)53-91-79(63-45-37-34-38-46-63,64-47-39-35-40-48-64)65-49-41-36-42-50-65)97-77-75(95-61(8)86)74(94-60(7)85)72(69(98-77)55-90-57(4)82)100-78-76(96-62(9)87)73(93-59(6)84)71(92-58(5)83)68(99-78)54-89-56(3)81/h34-43,45-51,66-69,71-78H,10-33,44,52-55H2,1-9H3,(H,80,88)/b51-43+/t66-,67+,68+,69+,71-,72-,73-,74-,75+,76+,77+,78+/m0/s1