2-oxidanylidenehexyl (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: 2-oxidanylidenehexyl (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: 2-oxohexyl (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid 2-oxohexyl ester IUPAC Name: 2-oxohexyl (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid 2-ketohexyl ester Formula: C27H37FO6 MolecularWeight: 476.577483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)COC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O

Isomeric SMILES

CCCCC(=O)COC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O

InChI

InChI=1S/C27H37FO6/c1-5-6-7-19(30)15-34-23(32)27(33)16(2)12-21-20-9-8-17-13-18(29)10-11-24(17,3)26(20,28)22(31)14-25(21,27)4/h10-11,13,16,20-22,31,33H,5-9,12,14-15H2,1-4H3/t16-,20+,21+,22+,24+,25+,26+,27+/m1/s1