(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

C172H292O22 — CID 159354338

IUPAC(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@]2(C)[C@@H](C)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@@H](OC)C[C@]3(C)[C@H]21.CO[C@H]1C[C@]2(C)[C@@H](OC)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@H](C)C[C@]3(C)[C@H]21
InChIInChI=1S/3C22H38O3.C22H36O3.C21H36O3.C21H34O3.2C21H36O2/c1-13-6-9-16-15-8-7-14-10-17(23)18(24-4)11-22(14,3)20(15)19(25-5)12-21(13,16)2;1-13-11-21(2)14(10-17(13)23)6-7-15-16-8-9-19(25-5)22(16,3)12-18(24-4)20(15)21;2*1-5-25-19-12-22(4)14(10-17(19)23)7-8-15-16-9-6-13(2)21(16,3)11-18(24)20(15)22;2*1-12-5-8-15-14-7-6-13-9-16(22)18(24-4)11-21(13,3)19(14)17(23)10-20(12,15)2;1-13-5-8-16-15-7-6-14-11-18(22)19(23-4)12-21(14,3)17(15)9-10-20(13,16)2;1-13-15-6-5-14-16-7-8-19(23-4)21(16,3)11-9-17(14)20(15,2)12-10-18(13)22/h2*13-20,23H,6-12H2,1-5H3;13-20,23-24H,5-12H2,1-4H3;13-17,19-20,23H,5-12H2,1-4H3;12-19,22-23H,5-11H2,1-4H3;12-16,18-19,22H,5-11H2,1-4H3;2*13-19,22H,5-12H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14+,15+,16+,17+,18+,19+,20-,21+,22+;13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14-,15-,16-,17-,19-,20+,21+,22-;12-,13-,14-,15-,16-,17-,18-,19+,20+,21-;12-,13-,14-,15-,16-,18-,19+,20+,21-;13-,14-,15-,16-,17-,18-,19-,20+,21-;13-,14+,15+,16+,17+,18-,19+,20+,21+/m01000001/s1
InChIKeyLHSUHEOTHBEODH-UGLNKKJKSA-N
MW2712.21 g/mol
LogP33.54
Rot. Bonds12

About (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 159354338) has the molecular formula C172H292O22 and a molecular weight of 2712.21 g/mol. Its IUPAC name is (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID159354338
Molecular FormulaC172H292O22
Molecular Weight2712.21 g/mol
Exact Mass2710.17
IUPAC Name(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILESCCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@]2(C)[C@@H](C)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@@H](OC)C[C@]3(C)[C@H]21.CO[C@H]1C[C@]2(C)[C@@H](OC)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@H](C)C[C@]3(C)[C@H]21
InChIInChI=1S/3C22H38O3.C22H36O3.C21H36O3.C21H34O3.2C21H36O2/c1-13-6-9-16-15-8-7-14-10-17(23)18(24-4)11-22(14,3)20(15)19(25-5)12-21(13,16)2;1-13-11-21(2)14(10-17(13)23)6-7-15-16-8-9-19(25-5)22(16,3)12-18(24-4)20(15)21;2*1-5-25-19-12-22(4)14(10-17(19)23)7-8-15-16-9-6-13(2)21(16,3)11-18(24)20(15)22;2*1-12-5-8-15-14-7-6-13-9-16(22)18(24-4)11-21(13,3)19(14)17(23)10-20(12,15)2;1-13-5-8-16-15-7-6-14-11-18(22)19(23-4)12-21(14,3)17(15)9-10-20(13,16)2;1-13-15-6-5-14-16-7-8-19(23-4)21(16,3)11-9-17(14)20(15,2)12-10-18(13)22/h2*13-20,23H,6-12H2,1-5H3;13-20,23-24H,5-12H2,1-4H3;13-17,19-20,23H,5-12H2,1-4H3;12-19,22-23H,5-11H2,1-4H3;12-16,18-19,22H,5-11H2,1-4H3;2*13-19,22H,5-12H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14+,15+,16+,17+,18+,19+,20-,21+,22+;13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14-,15-,16-,17-,19-,20+,21+,22-;12-,13-,14-,15-,16-,17-,18-,19+,20+,21-;12-,13-,14-,15-,16-,18-,19+,20+,21-;13-,14-,15-,16-,17-,18-,19-,20+,21-;13-,14+,15+,16+,17+,18-,19+,20+,21+/m01000001/s1
InChIKeyLHSUHEOTHBEODH-UGLNKKJKSA-N
XLogP33.54
TPSA328.74 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002712.21
LogP ≤ 533.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol with MolForge

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Related Compounds

(2S,3S,5S,8S,9S,10S,13R,14S,17R)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17R)-2-(2-methoxyethoxy)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-11-methoxy-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13R,14S,17S)-11-methoxy-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13R,14S,17R)-11-methoxy-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-10,13,17-trimethyl-2-propoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
CID 159783624
(2S,3S,5S,8S,9S,10S,11S,13R,14S,17R)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
CID 121369446
(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 160967610
17-ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
CID 162902169
(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-cyclopropyloxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethyl-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,13R,14S,17S)-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,13R,14S,17R)-2,10,13,17-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-10,13,17-trimethyl-2-(2-methylpropoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17R)-10,13,17-trimethyl-2-(2-methylpropoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 159077014
1-[(2S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-2-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 67837543
(2S,3S,5S,8S,9S,10S,13R,14S,17R)-10,13,17-trimethyl-2-propan-2-yloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 121369422
3-hydroxy-2-(2-methoxyethoxy)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 123356444
(5S,8R,9S,10S,13S,14S,17S)-2-acetyl-17-methoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 70563054
(8R,9S,10S,13R,14S,17R)-2-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 57362938
(2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 139407828
[(8S,9S,10S,13S,14S,17S)-17-acetyl-2-ethoxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 2-(diethylamino)acetate
CID 70585599

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CID 159354338) is (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CCO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](C)CC[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C)[C@@]4(C)CC(=O)[C@@H]32)C[C@@H]1O.CO[C@H]1C[C@]2(C)[C@@H](C)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@@H](OC)C[C@]3(C)[C@H]21.CO[C@H]1C[C@]2(C)[C@@H](OC)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)[C@H](C)C[C@]3(C)[C@H]21.
What is the InChIKey of (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is LHSUHEOTHBEODH-UGLNKKJKSA-N. The full InChI is InChI=1S/3C22H38O3.C22H36O3.C21H36O3.C21H34O3.2C21H36O2/c1-13-6-9-16-15-8-7-14-10-17(23)18(24-4)11-22(14,3)20(15)19(25-5)12-21(13,16)2;1-13-11-21(2)14(10-17(13)23)6-7-15-16-8-9-19(25-5)22(16,3)12-18(24-4)20(15)21;2*1-5-25-19-12-22(4)14(10-17(19)23)7-8-15-16-9-6-13(2)21(16,3)11-18(24)20(15)22;2*1-12-5-8-15-14-7-6-13-9-16(22)18(24-4)11-21(13,3)19(14)17(23)10-20(12,15)2;1-13-5-8-16-15-7-6-14-11-18(22)19(23-4)12-21(14,3)17(15)9-10-20(13,16)2;1-13-15-6-5-14-16-7-8-19(23-4)21(16,3)11-9-17(14)20(15,2)12-10-18(13)22/h2*13-20,23H,6-12H2,1-5H3;13-20,23-24H,5-12H2,1-4H3;13-17,19-20,23H,5-12H2,1-4H3;12-19,22-23H,5-11H2,1-4H3;12-16,18-19,22H,5-11H2,1-4H3;2*13-19,22H,5-12H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14+,15+,16+,17+,18+,19+,20-,21+,22+;13-,14-,15-,16-,17-,18-,19-,20+,21+,22-;13-,14-,15-,16-,17-,19-,20+,21+,22-;12-,13-,14-,15-,16-,17-,18-,19+,20+,21-;12-,13-,14-,15-,16-,18-,19+,20+,21-;13-,14-,15-,16-,17-,18-,19-,20+,21-;13-,14+,15+,16+,17+,18-,19+,20+,21+/m01000001/s1.
What are the key properties of (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol?
(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 2712.21 g/mol, XLogP of 33.54, 12 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2,11-dimethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2R,3S,5S,8S,9S,10S,11S,13S,14S,17S)-11,17-dimethoxy-2,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-ethoxy-3-hydroxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-ethoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-2-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;(2S,3S,5S,8S,9S,10S,11S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol;(2S,3S,5S,8S,9S,10S,13R,14S,17S)-2-methoxy-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3R,4R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 159354338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).