[(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetyloxy-2-[[(2R)-2-acetyloxyhexadecanoyl]amino]octadeca-4,8-dienoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetyloxy-2-[[(2R)-2-acetyloxyhexadecanoyl]amino]octadeca-4,8-dienoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetoxy-2-[[(2R)-2-acetoxyhexadecanoyl]amino]octadeca-4,8-dienoxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetyloxy-2-[[(2R)-2-acetyloxy-1-oxohexadecyl]amino]octadeca-4,8-dienoxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetyloxy-2-[[(2R)-2-acetyloxyhexadecanoyl]amino]octadeca-4,8-dienoxy]-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-6-[(2S,3R,4E,8E)-3-acetoxy-2-[[(2R)-2-acetoxyhexadecanoyl]amino]octadeca-4,8-dienoxy]-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C72H95NO15 MolecularWeight: 1214.5224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(C=CCCC=CCCCCCCCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)[C@@H](/C=C/CC/C=C/CCCCCCCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C72H95NO15/c1-5-7-9-11-13-15-17-19-21-22-24-26-40-50-61(83-54(3)74)60(73-67(76)62(84-55(4)75)51-41-27-25-23-20-18-16-14-12-10-8-6-2)52-82-72-66(88-71(80)59-48-38-31-39-49-59)65(87-70(79)58-46-36-30-37-47-58)64(86-69(78)57-44-34-29-35-45-57)63(85-72)53-81-68(77)56-42-32-28-33-43-56/h21-22,28-40,42-50,60-66,72H,5-20,23-27,41,51-53H2,1-4H3,(H,73,76)/b22-21+,50-40+/t60-,61+,62+,63+,64+,65-,66+,72+/m0/s1