[(2R,3R,4S,5S,6S)-4-[3-[(2S,3S,4S,5R,6R)-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxy]-2-[3-[(2S,3S,4S,5R,6R)-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxymethyl]-6-methoxy-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5S,6S)-4-[3-[(2S,3S,4S,5R,6R)-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxy]-2-[3-[(2S,3S,4S,5R,6R)-3,5-bis(phenylcarbonyloxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxymethyl]-6-methoxy-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5S,6S)-4-[3-[(2S,3S,4S,5R,6R)-4-allyloxy-6-(allyloxymethyl)-3,5-dibenzoyloxy-tetrahydropyran-2-yl]oxypropoxy]-2-[3-[(2S,3S,4S,5R,6R)-4-allyloxy-6-(allyloxymethyl)-3,5-dibenzoyloxy-tetrahydropyran-2-yl]oxypropoxymethyl]-5-benzoyloxy-6-methoxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6S)-5-benzoyloxy-4-[3-[[(2S,3S,4S,5R,6R)-3,5-dibenzoyloxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-2-oxanyl]oxy]propoxy]-2-[3-[[(2S,3S,4S,5R,6R)-3,5-dibenzoyloxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-2-oxanyl]oxy]propoxymethyl]-6-methoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6S)-5-benzoyloxy-4-[3-[(2S,3S,4S,5R,6R)-3,5-dibenzoyloxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxy]-2-[3-[(2S,3S,4S,5R,6R)-3,5-dibenzoyloxy-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-yl]oxypropoxymethyl]-6-methoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6S)-4-[3-[(2S,3S,4S,5R,6R)-4-allyloxy-6-(allyloxymethyl)-3,5-dibenzoyloxy-tetrahydropyran-2-yl]oxypropoxy]-2-[3-[(2S,3S,4S,5R,6R)-4-allyloxy-6-(allyloxymethyl)-3,5-dibenzoyloxy-tetrahydropyran-2-yl]oxypropoxymethyl]-5-benzoyloxy-6-methoxy-tetrahydropyran-3-yl] ester Formula: C79H86O24 MolecularWeight: 1419.51374

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COCCCOC2C(C(C(C(O2)COCC=C)OC(=O)C3=CC=CC=C3)OCC=C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCCCOC6C(C(C(C(O6)COCC=C)OC(=O)C7=CC=CC=C7)OCC=C)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC=C)OC(=O)C3=CC=CC=C3)OCC=C)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCCCO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COCC=C)OC(=O)C7=CC=CC=C7)OCC=C)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C79H86O24/c1-6-42-87-50-60-63(99-72(81)54-32-18-11-19-33-54)66(90-44-8-3)69(102-75(84)57-38-24-14-25-39-57)78(96-60)93-48-28-46-89-52-59-62(98-71(80)53-30-16-10-17-31-53)65(68(77(86-5)95-59)101-74(83)56-36-22-13-23-37-56)92-47-29-49-94-79-70(103-76(85)58-40-26-15-27-41-58)67(91-45-9-4)64(61(97-79)51-88-43-7-2)100-73(82)55-34-20-12-21-35-55/h6-27,30-41,59-70,77-79H,1-4,28-29,42-52H2,5H3/t59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,77+,78+,79+/m1/s1