1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; [(9R,10R)-4,8,8-trimethyl-2-oxidanylidene-9-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyloxy]-9,10-dihydropyrano[2,3-f]chromen-10-yl] 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; [(9R,10R)-4,8,8-trimethyl-2-oxidanylidene-9-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonyloxy]-9,10-dihydropyrano[2,3-f]chromen-10-yl] 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 1-[4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; [(9R,10R)-4,8,8-trimethyl-2-oxo-9-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: 1-[4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione; 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(9R,10R)-4,8,8-trimethyl-2-oxo-9-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]-9,10-dihydropyrano[2,3-f][1]benzopyran-10-yl] ester IUPAC Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; [(9R,10R)-4,8,8-trimethyl-2-oxo-9-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: 1-(4-azido-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone; 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [(9R,10R)-2-keto-9-(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)oxy-4,8,8-trimethyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] ester Formula: C45H53N5O15 MolecularWeight: 903.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C(C(C(O3)(C)C)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2[C@H]([C@H](C(O3)(C)C)OC(=O)C45CCC(C4(C)C)(C(=O)O5)C)OC(=O)C67CCC(C6(C)C)(C(=O)O7)C.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]

InChI

InChI=1S/C35H40O11.C10H13N5O4/c1-17-16-20(36)41-22-18(17)10-11-19-21(22)23(42-27(39)34-14-12-32(8,25(37)45-34)30(34,4)5)24(29(2,3)44-19)43-28(40)35-15-13-33(9,26(38)46-35)31(35,6)7;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h10-11,16,23-24H,12-15H2,1-9H3;3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t23-,24-,32?,33?,34?,35?;/m1./s1