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

Systemtic Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-oxidanyl-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Openeye Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-6-(benzyloxymethyl)-2-(dimethylamino)-4-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-yl]oxy]-4-benzyloxy-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-dione CAS Name: 2-[(4aR,6S,7R,8S,8aS)-6-[[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-yl]oxy]-5-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione IUPAC Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Traditional Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-6-(benzoxymethyl)-2-(dimethylamino)-4-hydroxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]oxazol-5-yl]oxy]-4-benzoxy-2-(benzoxymethyl)-5-phthalimido-tetrahydropyran-3-yl]oxy-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-quinone Formula: C72H70N4O16 MolecularWeight: 1247.3434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2C(C(C(C2O1)COCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O)OCC1=CC=CC=C1)N1C(=O)C2=CC=CC=C2C1=O)O

Isomeric SMILES

CN(C)C1=N[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)O[C@H]6[C@@H]([C@@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CC=C8)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O)OCC1=CC=CC=C1)N1C(=O)C2=CC=CC=C2C1=O)O

InChI

InChI=1S/C72H70N4O16/c1-74(2)72-73-55-58(77)60(52(59(55)92-72)40-82-36-43-22-8-3-9-23-43)89-70-56(75-65(78)48-32-18-19-33-49(48)66(75)79)63(84-38-45-26-12-5-13-27-45)61(53(87-70)41-83-37-44-24-10-4-11-25-44)91-71-57(76-67(80)50-34-20-21-35-51(50)68(76)81)64(85-39-46-28-14-6-15-29-46)62-54(88-71)42-86-69(90-62)47-30-16-7-17-31-47/h3-35,52-64,69-71,77H,36-42H2,1-2H3/t52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62+,63-,64-,69?,70-,71-/m0/s1