10-[(2S,3S,4S,5R)-3-acetamido-5-[[(2S,3S,5R,6R)-3-[[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxy-oxan-2-yl]decanoic acid

Systemtic Name: 10-[(2S,3S,4S,5R)-3-acetamido-5-[[(2S,3S,5R,6R)-3-[[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxy-oxan-2-yl]decanoic acid Openeye Name: 10-[(2S,3S,4S,5R)-3-acetamido-4-benzyloxy-5-[[(2S,3S,5R,6R)-5-benzyloxy-6-(benzyloxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]decanoic acid CAS Name: 10-[(2S,3S,4S,5R)-3-acetamido-5-[[(2S,3S,5R,6R)-3-[[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]methyl]-4-phenylmethoxy-2-oxanyl]decanoic acid IUPAC Name: 10-[(2S,3S,4S,5R)-3-acetamido-5-[[(2S,3S,5R,6R)-3-[[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxyoxan-2-yl]decanoic acid Traditional Name: 10-[(2S,3S,4S,5R)-3-acetamido-4-benzoxy-5-[[(2S,3S,5R,6R)-5-benzoxy-6-(benzoxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]methyl]tetrahydropyran-2-yl]capric acid Formula: C73H91NO12 MolecularWeight: 1174.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CC2CC(C(OC2CC3COC(C(C3OCC4=CC=CC=C4)NC(=O)C)CCCCCCCCCC(=O)O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H]([C@H](O[C@H]2C[C@@H]3CO[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)NC(=O)C)CCCCCCCCCC(=O)O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C73H91NO12/c1-53-70(81-47-57-32-18-10-19-33-57)73(84-50-60-38-24-13-25-39-60)72(83-49-59-36-22-12-23-37-59)66(85-53)43-61-42-65(79-46-56-30-16-9-17-31-56)67(52-78-45-55-28-14-8-15-29-55)86-64(61)44-62-51-80-63(40-26-6-4-3-5-7-27-41-68(76)77)69(74-54(2)75)71(62)82-48-58-34-20-11-21-35-58/h8-25,28-39,53,61-67,69-73H,3-7,26-27,40-52H2,1-2H3,(H,74,75)(H,76,77)/t53-,61-,62+,63-,64-,65+,66-,67+,69-,70+,71-,72+,73+/m0/s1