[(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-(2,2-dimethylpropanoyloxy)-5-fluoranyl-2-methyl-oxan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-(2,2-dimethylpropanoyloxy)-5-fluoranyl-2-methyl-oxan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetoxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-(2,2-dimethylpropanoyloxy)-5-fluoro-2-methyl-tetrahydropyran-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-(2,2-dimethyl-1-oxopropoxy)-5-fluoro-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-(2,2-dimethylpropanoyloxy)-5-fluoro-2-methyloxan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3S,4R,5S,6R)-6-[[(3R,8R,9S,10S,13R,14R,16S,17R)-16-acetoxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-fluoro-2-methyl-4-pivaloyloxy-tetrahydropyran-3-yl] ester Formula: C41H61FO11 MolecularWeight: 748.914843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H]([C@H](C[C@]5([C@@H]4CCC3C2)O)OC(=O)C)C6=CC(=O)OC6)C)C)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C41H61FO11/c1-21-32(52-35(45)37(3,4)5)33(53-36(46)38(6,7)8)31(42)34(49-21)51-25-13-15-39(9)24(18-25)11-12-27-26(39)14-16-40(10)30(23-17-29(44)48-20-23)28(50-22(2)43)19-41(27,40)47/h17,21,24-28,30-34,47H,11-16,18-20H2,1-10H3/t21-,24?,25+,26-,27+,28-,30-,31-,32-,33-,34-,39-,40+,41+/m0/s1