(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

C154H262O18 — CID 159783624

IUPAC(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
SMILESCCCO[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.COCCO[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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.C[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
InChIInChI=1S/C23H40O4.C23H40O3.3C22H38O2.C21H34O3.C21H34O2/c1-14-5-8-17-16-7-6-15-11-18(24)20(27-10-9-26-4)13-23(15,3)21(16)19(25)12-22(14,17)2;1-5-10-26-20-13-23(4)15(11-18(20)24)7-8-16-17-9-6-14(2)22(17,3)12-19(25)21(16)23;3*1-13-11-22(4)15(10-18(13)23)7-8-16-17-9-6-14(2)21(17,3)12-19(24-5)20(16)22;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;1-12-10-21(4)14(9-17(12)22)6-7-15-16-8-5-13(2)20(16,3)11-18(23)19(15)21/h14-21,24-25H,5-13H2,1-4H3;14-21,24-25H,5-13H2,1-4H3;3*13-20,23H,6-12H2,1-5H3;12-16,18-19,22H,5-11H2,1-4H3;12-17,19,22H,5-11H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+;14-,15-,16-,17-,18-,19-,20-,21+,22+,23-;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-,18-,19-,20+,21+,22-;12-,13+,14+,15+,16+,18+,19-,20-,21+;12-,13-,14-,15-,16-,17-,19+,20+,21-/m1011010/s1
InChIKeyNHRDJNNYJQWUQN-FSSCTVHTSA-N
MW2401.77 g/mol
LogP31.01
Rot. Bonds11

About (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

(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 (PubChem CID 159783624) has the molecular formula C154H262O18 and a molecular weight of 2401.77 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159783624
Molecular FormulaC154H262O18
Molecular Weight2401.77 g/mol
Exact Mass2399.96
IUPAC Name(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
SMILESCCCO[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.COCCO[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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.C[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
InChIInChI=1S/C23H40O4.C23H40O3.3C22H38O2.C21H34O3.C21H34O2/c1-14-5-8-17-16-7-6-15-11-18(24)20(27-10-9-26-4)13-23(15,3)21(16)19(25)12-22(14,17)2;1-5-10-26-20-13-23(4)15(11-18(20)24)7-8-16-17-9-6-14(2)22(17,3)12-19(25)21(16)23;3*1-13-11-22(4)15(10-18(13)23)7-8-16-17-9-6-14(2)21(17,3)12-19(24-5)20(16)22;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;1-12-10-21(4)14(9-17(12)22)6-7-15-16-8-5-13(2)20(16,3)11-18(23)19(15)21/h14-21,24-25H,5-13H2,1-4H3;14-21,24-25H,5-13H2,1-4H3;3*13-20,23H,6-12H2,1-5H3;12-16,18-19,22H,5-11H2,1-4H3;12-17,19,22H,5-11H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+;14-,15-,16-,17-,18-,19-,20-,21+,22+,23-;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-,18-,19-,20+,21+,22-;12-,13+,14+,15+,16+,18+,19-,20-,21+;12-,13-,14-,15-,16-,17-,19+,20+,21-/m1011010/s1
InChIKeyNHRDJNNYJQWUQN-FSSCTVHTSA-N
XLogP31.01
TPSA280.82 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002401.77
LogP ≤ 531.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze (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 with MolForge

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Related Compounds

(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
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
(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
methyl (2S,3S,5S,8S,9S,10S,11R,13S,14S,17S)-11-amino-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]phenanthrene-17-carboxylate
CID 12804612
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
3-hydroxy-10,13-dimethyl-2-propoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
CID 123189455
methyl (8S,9R,10S,13S,14S)-2-hexoxy-3-hydroxy-10,13-dimethyl-11-(3-methylbutylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
CID 70544595
[(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
(10S)-2-methoxy-10,13-dimethyl-17-nitro-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-ol
CID 145316196
(2S,3S,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-2-azido-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CID 86733303

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCO[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.COCCO[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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.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](C)C[C@]3(C)[C@H]21.C[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.
What is the InChIKey of (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?
The InChIKey is NHRDJNNYJQWUQN-FSSCTVHTSA-N. The full InChI is InChI=1S/C23H40O4.C23H40O3.3C22H38O2.C21H34O3.C21H34O2/c1-14-5-8-17-16-7-6-15-11-18(24)20(27-10-9-26-4)13-23(15,3)21(16)19(25)12-22(14,17)2;1-5-10-26-20-13-23(4)15(11-18(20)24)7-8-16-17-9-6-14(2)22(17,3)12-19(25)21(16)23;3*1-13-11-22(4)15(10-18(13)23)7-8-16-17-9-6-14(2)21(17,3)12-19(24-5)20(16)22;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;1-12-10-21(4)14(9-17(12)22)6-7-15-16-8-5-13(2)20(16,3)11-18(23)19(15)21/h14-21,24-25H,5-13H2,1-4H3;14-21,24-25H,5-13H2,1-4H3;3*13-20,23H,6-12H2,1-5H3;12-16,18-19,22H,5-11H2,1-4H3;12-17,19,22H,5-11H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21-,22-,23+;14-,15-,16-,17-,18-,19-,20-,21+,22+,23-;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-,18-,19-,20+,21+,22-;12-,13+,14+,15+,16+,18+,19-,20-,21+;12-,13-,14-,15-,16-,17-,19+,20+,21-/m1011010/s1.
What are the key properties of (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?
(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 has a molecular weight of 2401.77 g/mol, XLogP of 31.01, 11 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159783624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).