[(2S,3S,4S,5R,6R)-2-[[(2R,3S,4R)-4-[(2S,3S,4S,5R,6R)-3-(2,2-dimethylpropanoyloxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S,3S,4S,5R,6R)-2-[[(2R,3S,4R)-4-[(2S,3S,4S,5R,6R)-3-(2,2-dimethylpropanoyloxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-[[(2R,3S,4R)-4-[(2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3-(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]oxy-3-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]tetrahydropyran-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3S,4S,5R,6R)-2-[[(2R,3S,4R)-4-[[(2S,3S,4S,5R,6R)-3-(2,2-dimethyl-1-oxopropoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,5R,6R)-2-[[(2R,3S,4R)-4-[(2S,3S,4S,5R,6R)-3-(2,2-dimethylpropanoyloxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-[[(2R,3S,4R)-4-[(2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-pivaloyloxy-tetrahydropyran-2-yl]oxy-3-p-anisyloxy-3,4-dihydro-2H-pyran-2-yl]methoxy]tetrahydropyran-3-yl] ester Formula: C78H90O17 MolecularWeight: 1299.539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(C(C(OC1OCC2C(C(C=CO2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C(C)(C)C)OCC7=CC=C(C=C7)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)O[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H]2[C@H]([C@@H](C=CO2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C(C)(C)C)OCC7=CC=C(C=C7)OC)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

InChI

InChI=1S/C78H90O17/c1-77(2,3)75(79)94-71-69(88-48-58-34-22-12-23-35-58)67(86-46-56-30-18-10-19-31-56)64(51-82-44-54-26-14-8-15-27-54)92-73(71)90-53-63-66(85-50-60-38-40-61(81-7)41-39-60)62(42-43-84-63)91-74-72(95-76(80)78(4,5)6)70(89-49-59-36-24-13-25-37-59)68(87-47-57-32-20-11-21-33-57)65(93-74)52-83-45-55-28-16-9-17-29-55/h8-43,62-74H,44-53H2,1-7H3/t62-,63-,64-,65-,66+,67-,68-,69+,70+,71+,72+,73+,74+/m1/s1