3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoranyl-10,13-dimethyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione

Systemtic Name: 3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoranyl-10,13-dimethyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione Openeye Name: 3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione CAS Name: 3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione IUPAC Name: 3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione Traditional Name: 3-deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-trideuteriooxy-9-fluoro-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]propane-1,2-dione Formula: C22H27FO7 MolecularWeight: 426.46863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CC(C2(C(=O)C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O

Isomeric SMILES

[2H]OCC(=O)C(=O)[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O[2H])C)O[2H])O[2H]

InChI

InChI=1S/C22H27FO7/c1-19-6-5-12(25)7-11(19)3-4-13-14-8-16(27)22(30,18(29)15(26)10-24)20(14,2)9-17(28)21(13,19)23/h5-7,13-14,16-17,24,27-28,30H,3-4,8-10H2,1-2H3/t13-,14-,16+,17-,19-,20-,21?,22+/m0/s1/i24D,27D,28D,30D