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6,9-bis(fluoranyl)-10,13-dimethyl-11,16,17-tris(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

6,9-bis(fluoranyl)-10,13-dimethyl-11,16,17-tris(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Systemtic Name:6,9-bis(fluoranyl)-10,13-dimethyl-11,16,17-tris(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Openeye Name:6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
CAS Name:6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
IUPAC Name:6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Traditional Name:6,9-difluoro-11,16,17-trihydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Formula: C20H24F2O6
MolecularWeight: 398.397766
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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3(C(C1CC(C2(C(=O)O)O)O)CC(C4=CC(=O)C=CC43C)F)F)O


Isomeric SMILES

CC12CC(C3(C(C1CC(C2(C(=O)O)O)O)CC(C4=CC(=O)C=CC43C)F)F)O


InChI

InChI=1S/C20H24F2O6/c1-17-4-3-9(23)5-12(17)13(21)6-11-10-7-14(24)20(28,16(26)27)18(10,2)8-15(25)19(11,17)22/h3-5,10-11,13-15,24-25,28H,6-8H2,1-2H3,(H,26,27)


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