3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride

C178H313ClN2O27Si3Y133 — CID 160740641

IUPAC3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C.CCCCC#C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CCC(=O)O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCOC(C)=O.CO.COc1ccc(CC(=O)COCCOCCN)c(O)c1C(N)=O.Cl.O=C1CCC(=O)O1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C34H64O2Si.C34H60O2Si.C31H52O6.C28H50O2Si.C27H48O3.C15H22N2O6.C4H4O3.C4H8O2.CH4O.ClH.133Y/c2*1-11-12-13-14-19-34(8,35)30-16-15-26-25-23-29(36-37(9,10)31(3,4)5)28-22-24(2)17-20-32(28,6)27(25)18-21-33(26,30)7;1-5-6-7-8-15-31(4,36)26-10-9-22-21-19-25(37-28(35)12-11-27(33)34)24-18-20(32)13-16-29(24,2)23(21)14-17-30(22,26)3;1-18-12-14-28(7)23-13-15-27(6)21(19(2)29)10-11-22(27)20(23)17-25(24(28)16-18)30-31(8,9)26(3,4)5;1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3;1-21-12-3-2-10(14(19)13(12)15(17)20)8-11(18)9-23-7-6-22-5-4-16;5-3-1-2-4(6)7-3;1-3-6-4(2)5;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24-30,35H,11-23H2,1-10H3;24-30,35H,11-13,15-18,20-23H2,1-10H3;20-26,32,36H,5-19H2,1-4H3,(H,33,34);18,20-25H,10-17H2,1-9H3;18-24,28-30H,5-17H2,1-4H3;2-3,19H,4-9,16H2,1H3,(H2,17,20);1-2H2;3H2,1-2H3;2H,1H3;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t2*24-,25-,26-,27-,28+,29-,30-,32+,33-,34-;20-,21-,22-,23-,24+,25-,26-,29+,30-,31-;18-,20-,21+,22-,23-,24+,25-,27+,28+;18-,19-,20-,21-,22+,23-,24-,25+,26-,27-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00000........................................................................................................................................../s1
InChIKeyFKCMYSDFSUVUCB-MYHWXPCUSA-N
MW14857.66 g/mol
LogP38.63
Rot. Bonds44

About 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride

3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride (PubChem CID 160740641) has the molecular formula C178H313ClN2O27Si3Y133 and a molecular weight of 14857.66 g/mol. Its IUPAC name is 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride.

Molecular Properties

Compound Name3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride
PubChem CID160740641
Molecular FormulaC178H313ClN2O27Si3Y133
Molecular Weight14857.66 g/mol
Exact Mass14854.70
IUPAC Name3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C.CCCCC#C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CCC(=O)O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCOC(C)=O.CO.COc1ccc(CC(=O)COCCOCCN)c(O)c1C(N)=O.Cl.O=C1CCC(=O)O1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C34H64O2Si.C34H60O2Si.C31H52O6.C28H50O2Si.C27H48O3.C15H22N2O6.C4H4O3.C4H8O2.CH4O.ClH.133Y/c2*1-11-12-13-14-19-34(8,35)30-16-15-26-25-23-29(36-37(9,10)31(3,4)5)28-22-24(2)17-20-32(28,6)27(25)18-21-33(26,30)7;1-5-6-7-8-15-31(4,36)26-10-9-22-21-19-25(37-28(35)12-11-27(33)34)24-18-20(32)13-16-29(24,2)23(21)14-17-30(22,26)3;1-18-12-14-28(7)23-13-15-27(6)21(19(2)29)10-11-22(27)20(23)17-25(24(28)16-18)30-31(8,9)26(3,4)5;1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3;1-21-12-3-2-10(14(19)13(12)15(17)20)8-11(18)9-23-7-6-22-5-4-16;5-3-1-2-4(6)7-3;1-3-6-4(2)5;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24-30,35H,11-23H2,1-10H3;24-30,35H,11-13,15-18,20-23H2,1-10H3;20-26,32,36H,5-19H2,1-4H3,(H,33,34);18,20-25H,10-17H2,1-9H3;18-24,28-30H,5-17H2,1-4H3;2-3,19H,4-9,16H2,1H3,(H2,17,20);1-2H2;3H2,1-2H3;2H,1H3;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t2*24-,25-,26-,27-,28+,29-,30-,32+,33-,34-;20-,21-,22-,23-,24+,25-,26-,29+,30-,31-;18-,20-,21+,22-,23-,24+,25-,27+,28+;18-,19-,20-,21-,22+,23-,24-,25+,26-,27-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00000........................................................................................................................................../s1
InChIKeyFKCMYSDFSUVUCB-MYHWXPCUSA-N
XLogP38.63
TPSA473.97 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 50014857.66
LogP ≤ 538.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride?
The IUPAC name of 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride (CID 160740641) is 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride.
What is the SMILES notation for 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride?
The canonical SMILES for 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride is CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@]12C.CCCCC#C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CCC(=O)O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.CCCCCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C.CCOC(C)=O.CO.COc1ccc(CC(=O)COCCOCCN)c(O)c1C(N)=O.Cl.O=C1CCC(=O)O1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride?
The InChIKey is FKCMYSDFSUVUCB-MYHWXPCUSA-N. The full InChI is InChI=1S/C34H64O2Si.C34H60O2Si.C31H52O6.C28H50O2Si.C27H48O3.C15H22N2O6.C4H4O3.C4H8O2.CH4O.ClH.133Y/c2*1-11-12-13-14-19-34(8,35)30-16-15-26-25-23-29(36-37(9,10)31(3,4)5)28-22-24(2)17-20-32(28,6)27(25)18-21-33(26,30)7;1-5-6-7-8-15-31(4,36)26-10-9-22-21-19-25(37-28(35)12-11-27(33)34)24-18-20(32)13-16-29(24,2)23(21)14-17-30(22,26)3;1-18-12-14-28(7)23-13-15-27(6)21(19(2)29)10-11-22(27)20(23)17-25(24(28)16-18)30-31(8,9)26(3,4)5;1-5-6-7-8-13-27(4,30)24-10-9-20-19-17-23(29)22-16-18(28)11-14-25(22,2)21(19)12-15-26(20,24)3;1-21-12-3-2-10(14(19)13(12)15(17)20)8-11(18)9-23-7-6-22-5-4-16;5-3-1-2-4(6)7-3;1-3-6-4(2)5;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h24-30,35H,11-23H2,1-10H3;24-30,35H,11-13,15-18,20-23H2,1-10H3;20-26,32,36H,5-19H2,1-4H3,(H,33,34);18,20-25H,10-17H2,1-9H3;18-24,28-30H,5-17H2,1-4H3;2-3,19H,4-9,16H2,1H3,(H2,17,20);1-2H2;3H2,1-2H3;2H,1H3;1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t2*24-,25-,26-,27-,28+,29-,30-,32+,33-,34-;20-,21-,22-,23-,24+,25-,26-,29+,30-,31-;18-,20-,21+,22-,23-,24+,25-,27+,28+;18-,19-,20-,21-,22+,23-,24-,25+,26-,27-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m00000........................................................................................................................................../s1.
What are the key properties of 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride?
3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride has a molecular weight of 14857.66 g/mol, XLogP of 38.63, 44 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-aminoethoxy)ethoxy]-2-oxopropyl]-2-hydroxy-6-methoxybenzamide;1-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;(2S)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]octan-2-ol;(2R)-2-[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-6-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oct-3-yn-2-ol;ethyl acetate;4-[[(3S,5S,6S,8R,9S,10R,13S,14S,17S)-3-hydroxy-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid;(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyoctan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol;methanol;oxolane-2,5-dione;(yttrium);hydrochloride is sourced from PubChem (CID 160740641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).