(8S,10S,13S,14S,17S)-9-fluoranyl-17-[2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoyl]-10,13,16-trimethyl-11-oxidanyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,10S,13S,14S,17S)-9-fluoranyl-17-[2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoyl]-10,13,16-trimethyl-11-oxidanyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one Openeye Name: (8S,10S,13S,14S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyacetyl]-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one CAS Name: (8S,10S,13S,14S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[1-oxo-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one IUPAC Name: (8S,10S,13S,14S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one Traditional Name: (8S,10S,13S,14S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyacetyl]-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one Formula: C28H39FO9 MolecularWeight: 538.602263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC5C(C(C(C(O5)CO)O)O)O)C)O)F)C

Isomeric SMILES

CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3(C(C[C@@]2([C@H]1C(=O)CO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C)O)F)C

InChI

InChI=1S/C28H39FO9/c1-13-8-17-16-5-4-14-9-15(31)6-7-27(14,3)28(16,29)20(33)10-26(17,2)21(13)18(32)12-37-25-24(36)23(35)22(34)19(11-30)38-25/h6-7,9,13,16-17,19-25,30,33-36H,4-5,8,10-12H2,1-3H3/t13?,16-,17-,19+,20?,21+,22-,23-,24+,25+,26-,27-,28?/m0/s1