sodium O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-bis(oxidanylidene)oxolan-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanedioate

Systemtic Name: sodium O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-bis(oxidanylidene)oxolan-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanedioate Openeye Name: sodium O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxo-tetrahydrofuran-3-yl] O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] oxalate CAS Name: sodium oxalic acid O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxo-3-oxolanyl] ester O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: sodium 2-O-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-dioxooxolan-3-yl] 1-O-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] oxalate Traditional Name: sodium oxalic acid O2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,4-diketo-tetrahydrofuran-3-yl] ester O1-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C39H60NaO9+ MolecularWeight: 695.87807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C(=O)OC5C(=O)C(OC5=O)C6COC(O6)(C)C)C)C.[Na+]

Isomeric SMILES

C[C@@H](CCC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C(=O)OC5C(=O)C(OC5=O)C6COC(O6)(C)C)C)C.[Na+]

InChI

InChI=1S/C39H60O9.Na/c1-21(2)22(3)9-10-23(4)27-13-14-28-26-12-11-24-19-25(15-17-38(24,7)29(26)16-18-39(27,28)8)45-35(42)36(43)47-33-31(40)32(46-34(33)41)30-20-44-37(5,6)48-30;/h21-30,32-33H,9-20H2,1-8H3;/q;+1/t22?,23-,24-,25-,26-,27+,28-,29-,30?,32?,33?,38-,39+;/m0./s1