2-[(2S,3S,4S,5S,6S)-2-[10-[(4-methoxyphenyl)methoxy]decyl]-5-[[(2S,5S,6R)-4-oxidanylidene-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S,3S,4S,5S,6S)-2-[10-[(4-methoxyphenyl)methoxy]decyl]-5-[[(2S,5S,6R)-4-oxidanylidene-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(2S,3S,4S,5S,6S)-4-benzyloxy-5-[[(2S,5S,6R)-5-benzyloxy-6-(benzyloxymethyl)-4-oxo-tetrahydropyran-2-yl]methyl]-6-(benzyloxymethyl)-2-[10-[(4-methoxyphenyl)methoxy]decyl]tetrahydropyran-3-yl]isoindoline-1,3-dione CAS Name: 2-[(2S,3S,4S,5S,6S)-2-[10-[(4-methoxyphenyl)methoxy]decyl]-5-[[(2S,5S,6R)-4-oxo-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]methyl]-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]isoindole-1,3-dione IUPAC Name: 2-[(2S,3S,4S,5S,6S)-2-[10-[(4-methoxyphenyl)methoxy]decyl]-5-[[(2S,5S,6R)-4-oxo-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(2S,3S,4S,5S,6S)-4-benzoxy-5-[[(2S,5S,6R)-5-benzoxy-6-(benzoxymethyl)-4-keto-tetrahydropyran-2-yl]methyl]-6-(benzoxymethyl)-2-(10-p-anisyloxydecyl)tetrahydropyran-3-yl]isoindoline-1,3-quinone Formula: C67H77NO11 MolecularWeight: 1072.32838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCCCCCCCCCCC2C(C(C(C(O2)COCC3=CC=CC=C3)CC4CC(=O)C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

Isomeric SMILES

COC1=CC=C(C=C1)COCCCCCCCCCC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)C[C@H]4CC(=O)[C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

InChI

InChI=1S/C67H77NO11/c1-72-54-37-35-53(36-38-54)42-73-39-23-7-5-3-2-4-6-20-34-60-63(68-66(70)56-32-21-22-33-57(56)67(68)71)64(76-45-51-28-16-10-17-29-51)58(61(79-60)47-74-43-49-24-12-8-13-25-49)40-55-41-59(69)65(77-46-52-30-18-11-19-31-52)62(78-55)48-75-44-50-26-14-9-15-27-50/h8-19,21-22,24-33,35-38,55,58,60-65H,2-7,20,23,34,39-48H2,1H3/t55-,58+,60-,61+,62+,63-,64-,65+/m0/s1