(8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Systemtic Name: (8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione Openeye Name: (8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione CAS Name: (8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione IUPAC Name: (8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione Traditional Name: (8S,9S,11S,13S,14S,17R)-11,13-dimethylspiro[1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone Formula: C22H30O3 MolecularWeight: 342.4718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(C(CCC23CCC(=O)O3)C4C1C5=C(CC4)CC(=O)CC5)C

Isomeric SMILES

C[C@H]1C[C@]2([C@@H](CC[C@@]23CCC(=O)O3)[C@H]4[C@H]1C5=C(CC4)CC(=O)CC5)C

InChI

InChI=1S/C22H30O3/c1-13-12-21(2)18(7-9-22(21)10-8-19(24)25-22)17-5-3-14-11-15(23)4-6-16(14)20(13)17/h13,17-18,20H,3-12H2,1-2H3/t13-,17-,18-,20+,21-,22+/m0/s1