2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-oxan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-oxan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-8-benzyloxy-7-(1,3-dioxoisoindolin-2-yl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-allyl-4-benzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-dione CAS Name: 2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-(1,3-dioxo-2-isoindolyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-3-oxanyl]isoindole-1,3-dione IUPAC Name: 2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-7-(1,3-dioxoisoindol-2-yl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(2S,3S,4R,5S,6R)-5-[[(2R,4aR,6S,7R,8R,8aS)-8-benzoxy-2-phenyl-7-phthalimido-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-allyl-4-benzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-quinone Formula: C59H54N2O12 MolecularWeight: 983.06626

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C=CC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C59H54N2O12/c1-2-19-45-48(60-54(62)41-28-15-16-29-42(41)55(60)63)52(67-33-38-22-9-4-10-23-38)50(46(70-45)35-66-32-37-20-7-3-8-21-37)73-59-49(61-56(64)43-30-17-18-31-44(43)57(61)65)53(68-34-39-24-11-5-12-25-39)51-47(71-59)36-69-58(72-51)40-26-13-6-14-27-40/h2-18,20-31,45-53,58-59H,1,19,32-36H2/t45-,46+,47+,48-,49+,50+,51+,52+,53+,58+,59-/m0/s1