[(3S)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl (4R,5R)-2,2,10',13'-tetramethyl-11'-oxidanyl-3'-oxidanylidene-spiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate

Systemtic Name: [(3S)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl (4R,5R)-2,2,10',13'-tetramethyl-11'-oxidanyl-3'-oxidanylidene-spiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate Openeye Name: [(3S)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4R,5R)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxo-spiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate CAS Name: (4R,5R)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxo-4-spiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]carboxylic acid [(3S)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(3S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4R,5R)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate Traditional Name: (4R,5R)-11'-hydroxy-3'-keto-2,2,10',13'-tetramethyl-spiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylic acid [(3S)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C34H43N5O9 MolecularWeight: 665.73332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3C4(CCC5C4(CC(C6C5CCC7=CC(=O)C=CC67C)O)C)OC(O3)(C)C)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2C[C@@H](C(O2)COC(=O)[C@H]3[C@]4(CCC5C4(CC(C6C5CCC7=CC(=O)C=CC67C)O)C)OC(O3)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C34H43N5O9/c1-17-15-39(30(44)36-28(17)42)25-13-22(37-38-35)24(46-25)16-45-29(43)27-34(48-31(2,3)47-27)11-9-21-20-7-6-18-12-19(40)8-10-32(18,4)26(20)23(41)14-33(21,34)5/h8,10,12,15,20-27,41H,6-7,9,11,13-14,16H2,1-5H3,(H,36,42,44)/t20?,21?,22-,23?,24?,25?,26?,27-,32?,33?,34-/m0/s1