[(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,5-dimethoxy-phenyl]prop-2-enyl] ethanoate Openeye Name: [(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dimethoxy-phenyl]allyl] acetate CAS Name: acetic acid [(E)-3-[4-[[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,5-dimethoxyphenyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-[4-[(2S,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dimethoxy-phenyl]allyl] ester Formula: C39H50O22 MolecularWeight: 870.8011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC

Isomeric SMILES

CC(=O)OC/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC

InChI

InChI=1S/C39H50O22/c1-18(40)50-13-11-12-26-14-27(48-9)31(28(15-26)49-10)60-38-37(57-25(8)47)35(55-23(6)45)33(30(59-38)17-52-20(3)42)61-39-36(56-24(7)46)34(54-22(5)44)32(53-21(4)43)29(58-39)16-51-19(2)41/h11-12,14-15,29-30,32-39H,13,16-17H2,1-10H3/b12-11+/t29-,30-,32-,33-,34+,35+,36-,37-,38+,39+/m1/s1