sodium [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: sodium [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: sodium [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: sodium [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(8R,9S,10R,13S,14S,17S)-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C18H26NaO5S+ MolecularWeight: 377.45081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=CC(=O)CCC34.[Na+]

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@H]34.[Na+]

InChI

InChI=1S/C18H26O5S.Na/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22;/h10,13-17H,2-9H2,1H3,(H,20,21,22);/q;+1/t13-,14+,15+,16-,17-,18-;/m0./s1