[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(Z,2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]octadec-8-enoxy]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(Z,2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]octadec-8-enoxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(Z,2S,3S,4R)-3,4-diacetoxy-2-[[(2R)-2-acetoxyhexacosanoyl]amino]octadec-8-enoxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(Z,2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxy-1-oxohexacosyl]amino]octadec-8-enoxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(Z,2S,3S,4R)-3,4-diacetyloxy-2-[[(2R)-2-acetyloxyhexacosanoyl]amino]octadec-8-enoxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(Z,2S,3S,4R)-3,4-diacetoxy-2-[[(2R)-2-acetoxyhexacosanoyl]amino]octadec-8-enoxy]tetrahydropyran-2-yl]methyl ester Formula: C64H111NO17 MolecularWeight: 1166.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C(CCCC=CCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H]([C@@H](CCC/C=C\CCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C64H111NO17/c1-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-57(77-50(5)68)63(73)65-55(59(78-51(6)69)56(76-49(4)67)44-42-40-38-36-34-23-21-19-17-15-13-11-2)46-75-64-62(81-54(9)72)61(80-53(8)71)60(79-52(7)70)58(82-64)47-74-48(3)66/h36,38,55-62,64H,10-35,37,39-47H2,1-9H3,(H,65,73)/b38-36-/t55-,56+,57+,58+,59-,60+,61-,62+,64+/m0/s1