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[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-4-oxidanyl-6-phenylmethoxy-oxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-(4-oxidanylidenepentanoyloxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxidanylidenepentanoate

[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-4-oxidanyl-6-phenylmethoxy-oxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-(4-oxidanylidenepentanoyloxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name:[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-4-oxidanyl-6-phenylmethoxy-oxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-(4-oxidanylidenepentanoyloxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxidanylidenepentanoate
Openeye Name:[(2R,3S,4S,5R,6S)-3,5-dibenzyloxy-6-[(2R,3S,4R,6S)-4-benzyloxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-6-benzyloxy-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-tetrahydropyran-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-4-(4-oxopentanoyloxy)tetrahydropyran-2-yl]methyl 4-oxopentanoate
CAS Name:4-oxopentanoic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-5-(2,2-dimethyl-1-oxopropoxy)-2-[(2,2-dimethyl-1-oxopropoxy)methyl]-4-hydroxy-6-phenylmethoxy-3-oxanyl]oxy]-6-[(2,2-dimethyl-1-oxopropoxy)methyl]-3,5-dihydroxy-4-oxanyl]oxy]-5-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-4-(1,4-dioxopentoxy)-3,5-bis(phenylmethoxy)-2-oxanyl]methyl ester
IUPAC Name:[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-(2,2-dimethylpropanoyloxy)-2-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-6-phenylmethoxyoxan-3-yl]oxy-6-(2,2-dimethylpropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-(4-oxopentanoyloxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-oxopentanoate
Traditional Name:4-ketovaleric acid [(2R,3S,4S,5R,6S)-3,5-dibenzoxy-6-[(2R,3S,4R,6S)-4-benzoxy-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-6-benzoxy-4-hydroxy-5-pivaloyloxy-2-(pivaloyloxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(pivaloyloxymethyl)tetrahydropyran-4-yl]oxy-2-(benzoxymethyl)-5-phthalimido-tetrahydropyran-3-yl]oxy-4-(4-ketopentanoyloxy)tetrahydropyran-2-yl]methyl ester
Formula: C92H111NO29
MolecularWeight: 1694.85504
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)OC6C(C(OC(C6O)OC7C(OC(C(C7O)OC(=O)C(C)(C)C)OCC8=CC=CC=C8)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)O)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OC(=O)CCC(=O)C)OCC1=CC=CC=C1


Isomeric SMILES

CC(=O)CCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C([C@H]2OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)OC(=O)C(C)(C)C)OCC8=CC=CC=C8)COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)O)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OC(=O)CCC(=O)C)OCC1=CC=CC=C1


InChI

InChI=1S/C92H111NO29/c1-54(94)41-43-67(96)107-52-66-74(108-46-57-31-19-13-20-32-57)79(118-68(97)44-42-55(2)95)80(110-48-59-35-23-15-24-36-59)86(117-66)120-75-64(50-106-45-56-29-17-12-18-30-56)115-83(69(76(75)109-47-58-33-21-14-22-34-58)93-81(101)61-39-27-28-40-62(61)82(93)102)121-77-70(98)63(51-112-87(103)90(3,4)5)114-84(72(77)100)119-73-65(53-113-88(104)91(6,7)8)116-85(111-49-60-37-25-16-26-38-60)78(71(73)99)122-89(105)92(9,10)11/h12-40,63-66,69-80,83-86,98-100H,41-53H2,1-11H3/t63-,64-,65-,66-,69?,70+,71+,72-,73-,74+,75-,76-,77+,78-,79+,80-,83+,84+,85-,86+/m1/s1


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