2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-[3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-oxidanyl-ethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-[3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-oxidanyl-ethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindole-1,3-dione Openeye Name: 2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxy-ethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindoline-1,3-dione CAS Name: 2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1-pyrimidinyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxyethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindole-1,3-dione IUPAC Name: 2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxyethyl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindole-1,3-dione Traditional Name: 2-[(3aS,4R,7R,7aR)-4-[2-[(3aR,4R,6R,6aR)-4-(2,4-diketo-3-p-anisyl-pyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxy-ethyl]-2,2-dimethyl-6-p-anisyloxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]isoindoline-1,3-quinone Formula: C45H49N3O14 MolecularWeight: 855.88226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C(C2O1)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=C(C=C5)OC)CC(C6C7C(C(O6)N8C=CC(=O)N(C8=O)CC9=CC=C(C=C9)OC)OC(O7)(C)C)O)C

Isomeric SMILES

CC1(O[C@H]2[C@H](OC([C@@H]([C@H]2O1)N3C(=O)C4=CC=CC=C4C3=O)OCC5=CC=C(C=C5)OC)CC([C@@H]6[C@@H]7[C@H]([C@@H](O6)N8C=CC(=O)N(C8=O)CC9=CC=C(C=C9)OC)OC(O7)(C)C)O)C

InChI

InChI=1S/C45H49N3O14/c1-44(2)59-35-31(57-42(56-23-25-13-17-27(55-6)18-14-25)33(36(35)60-44)48-39(51)28-9-7-8-10-29(28)40(48)52)21-30(49)34-37-38(62-45(3,4)61-37)41(58-34)46-20-19-32(50)47(43(46)53)22-24-11-15-26(54-5)16-12-24/h7-20,30-31,33-38,41-42,49H,21-23H2,1-6H3/t30?,31-,33-,34-,35+,36-,37-,38-,41-,42?/m1/s1