(6S,8S,10R,13S,14S)-6-fluoranyl-10,13,16-trimethyl-3-oxidanylidene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name: (6S,8S,10R,13S,14S)-6-fluoranyl-10,13,16-trimethyl-3-oxidanylidene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Openeye Name: (6S,8S,10R,13S,14S)-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid CAS Name: (6S,8S,10R,13S,14S)-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid IUPAC Name: (6S,8S,10R,13S,14S)-6-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Traditional Name: (6S,8S,10R,13S,14S)-6-fluoro-3-keto-10,13,16-trimethyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthrene-17-carboxylic acid Formula: C21H23FO3 MolecularWeight: 342.403923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(CC=C3C(C2C1)CC(C4=CC(=O)C=CC34C)F)C)C(=O)O

Isomeric SMILES

CC1=C([C@]2(CC=C3[C@H]([C@@H]2C1)C[C@@H](C4=CC(=O)C=C[C@]34C)F)C)C(=O)O

InChI

InChI=1S/C21H23FO3/c1-11-8-15-13-10-17(22)16-9-12(23)4-6-20(16,2)14(13)5-7-21(15,3)18(11)19(24)25/h4-6,9,13,15,17H,7-8,10H2,1-3H3,(H,24,25)/t13-,15+,17+,20-,21+/m1/s1