[(2R,3R,4S,5R,6S)-4,5-bis(phenylcarbonyloxy)-6-prop-2-enoxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-bis(phenylcarbonyloxy)-6-prop-2-enoxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6S)-6-allyloxy-4,5-dibenzoyloxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-prop-2-enoxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-dibenzoyloxy-6-prop-2-enoxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6S)-6-allyloxy-4,5-dibenzoyloxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl] ester Formula: C77H78O31 MolecularWeight: 1499.42462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OCC=C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)O)O)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OCC=C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)O)O)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C77H78O31/c1-6-37-91-75-66(107-72(89)50-33-21-11-22-34-50)63(105-70(87)48-29-17-9-18-30-48)60(103-68(85)46-25-13-7-14-26-46)54(100-75)40-93-74-58(84)57(83)56(82)52(99-74)38-94-77-67(108-73(90)51-35-23-12-24-36-51)64(106-71(88)49-31-19-10-20-32-49)61(104-69(86)47-27-15-8-16-28-47)55(102-77)41-95-76-65(98-45(5)81)62(97-44(4)80)59(96-43(3)79)53(101-76)39-92-42(2)78/h6-36,52-67,74-77,82-84H,1,37-41H2,2-5H3/t52-,53-,54-,55-,56-,57+,58-,59-,60-,61-,62+,63+,64+,65-,66-,67-,74-,75+,76-,77-/m1/s1