1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile

C164H246N12O15 — CID 158594742

IUPAC1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
SMILESCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.CC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O.COc1ccc2c(c1)nnn2CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.COc1ccc2nn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc2c1.COc1ccc2nnn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)c2c1.C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)Cn1cc(C#N)cn1
InChIInChI=1S/3C30H43N3O3.C27H39N3O2.C24H40O2.C23H38O2/c1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-9-7-20(36-5)15-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-15-20(36-5)7-9-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-31-24-9-7-20(36-5)15-25(24)32-33;1-17-11-22-20-6-5-19-12-25(2,32)9-10-26(19,3)21(20)7-8-27(22,4)24(17)23(31)16-30-15-18(13-28)14-29-30;1-6-16-13-20-18-8-7-17-14-22(3,26)11-12-23(17,4)19(18)9-10-24(20,5)21(16)15(2)25;1-14-12-19-17-7-6-16-13-21(3,25)10-11-22(16,4)18(17)8-9-23(19,5)20(14)15(2)24/h3*7,9,15,18-19,21-23,27,35H,6,8,10-14,16-17H2,1-5H3;14-15,17,19-22,24,32H,5-12,16H2,1-4H3;16-21,26H,6-14H2,1-5H3;14,16-20,25H,6-13H2,1-5H3/t3*18-,19+,21-,22+,23+,27-,28-,29+,30+;17-,19+,20-,21+,22+,24-,25-,26+,27+;16-,17+,18-,19+,20+,21+,22-,23+,24+;14-,16+,17-,18+,19+,20-,21-,22+,23+/m111111/s1
InChIKeyHUWPLDVSEXYSDL-UPKIOOAUSA-N
MW2625.84 g/mol
LogP32.83
Rot. Bonds18

About 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile

1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile (PubChem CID 158594742) has the molecular formula C164H246N12O15 and a molecular weight of 2625.84 g/mol. Its IUPAC name is 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
PubChem CID158594742
Molecular FormulaC164H246N12O15
Molecular Weight2625.84 g/mol
Exact Mass2623.89
IUPAC Name1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
SMILESCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.CC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O.COc1ccc2c(c1)nnn2CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.COc1ccc2nn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc2c1.COc1ccc2nnn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)c2c1.C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)Cn1cc(C#N)cn1
InChIInChI=1S/3C30H43N3O3.C27H39N3O2.C24H40O2.C23H38O2/c1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-9-7-20(36-5)15-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-15-20(36-5)7-9-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-31-24-9-7-20(36-5)15-25(24)32-33;1-17-11-22-20-6-5-19-12-25(2,32)9-10-26(19,3)21(20)7-8-27(22,4)24(17)23(31)16-30-15-18(13-28)14-29-30;1-6-16-13-20-18-8-7-17-14-22(3,26)11-12-23(17,4)19(18)9-10-24(20,5)21(16)15(2)25;1-14-12-19-17-7-6-16-13-21(3,25)10-11-22(16,4)18(17)8-9-23(19,5)20(14)15(2)24/h3*7,9,15,18-19,21-23,27,35H,6,8,10-14,16-17H2,1-5H3;14-15,17,19-22,24,32H,5-12,16H2,1-4H3;16-21,26H,6-14H2,1-5H3;14,16-20,25H,6-13H2,1-5H3/t3*18-,19+,21-,22+,23+,27-,28-,29+,30+;17-,19+,20-,21+,22+,24-,25-,26+,27+;16-,17+,18-,19+,20+,21+,22-,23+,24+;14-,16+,17-,18+,19+,20-,21-,22+,23+/m111111/s1
InChIKeyHUWPLDVSEXYSDL-UPKIOOAUSA-N
XLogP32.83
TPSA385.23 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.84
LogP ≤ 532.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile with MolForge

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Related Compounds

1-[(3R,5S,8R,9S,10S,13S,14S,16R)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone
CID 139363418
2-(benzotriazol-1-yl)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;2-(benzotriazol-2-yl)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(4-methyltriazol-2-yl)ethanone
CID 160741308
1-[(3R,5R,8S,9S,10S,13S,14S,17S)-10-ethyl-3-hydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone
CID 142612895
1-[(1R,2R,3R,5S,6S,7S,10R,11S,14R,16R)-14-hydroxy-7,14-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadecanyl]-2-(5-methoxybenzotriazol-1-yl)ethanone
CID 153333755
1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(2-methoxyethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone
CID 166834310
2-(4-fluoro-5-methylbenzotriazol-1-yl)-1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;2-(4-fluoro-5-methylbenzotriazol-2-yl)-1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(4-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5R,8S,9S,10R,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(7-methoxybenzotriazol-1-yl)ethanone
CID 159384372
1-[2-[(1R,2S,7R,8S,11S,12S,16R,18R)-16-hydroxy-8,12,16-trimethyl-7-tetracyclo[9.9.0.02,8.012,18]icosanyl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 155436813
1-[2-[(3R,5S,7R,8R,9S,10S,13S,14S,17R)-3-hydroxy-3,7,10,13-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 139363386
2-(6-fluoro-4-methylbenzotriazol-2-yl)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-indazol-1-ylethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-indazol-2-ylethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methylbenzotriazol-1-yl)ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methylbenzotriazol-2-yl)ethanone;1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methylbenzotriazol-1-yl)ethanone;1-[2-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-3-carbonitrile
CID 164973840
1-[(3R,5R,8R,9S,10S,13S,14S,16R)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 166930055
1-[2-[(3R,5R,8S,9S,13S,14S,17S)-3-hydroxy-10-(methoxymethyl)-3,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 138660804
1-[2-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile
CID 162737062

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile (CID 158594742) is 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile is CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.CC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O.COc1ccc2c(c1)nnn2CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C.COc1ccc2nn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc2c1.COc1ccc2nnn(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@@]43C)c2c1.C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)Cn1cc(C#N)cn1.
What is the InChIKey of 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile?
The InChIKey is HUWPLDVSEXYSDL-UPKIOOAUSA-N. The full InChI is InChI=1S/3C30H43N3O3.C27H39N3O2.C24H40O2.C23H38O2/c1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-9-7-20(36-5)15-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-25-15-20(36-5)7-9-24(25)31-32-33;1-18-14-23-21-8-6-19-16-28(2,35)12-13-29(19,3)22(21)10-11-30(23,4)27(18)26(34)17-33-31-24-9-7-20(36-5)15-25(24)32-33;1-17-11-22-20-6-5-19-12-25(2,32)9-10-26(19,3)21(20)7-8-27(22,4)24(17)23(31)16-30-15-18(13-28)14-29-30;1-6-16-13-20-18-8-7-17-14-22(3,26)11-12-23(17,4)19(18)9-10-24(20,5)21(16)15(2)25;1-14-12-19-17-7-6-16-13-21(3,25)10-11-22(16,4)18(17)8-9-23(19,5)20(14)15(2)24/h3*7,9,15,18-19,21-23,27,35H,6,8,10-14,16-17H2,1-5H3;14-15,17,19-22,24,32H,5-12,16H2,1-4H3;16-21,26H,6-14H2,1-5H3;14,16-20,25H,6-13H2,1-5H3/t3*18-,19+,21-,22+,23+,27-,28-,29+,30+;17-,19+,20-,21+,22+,24-,25-,26+,27+;16-,17+,18-,19+,20+,21+,22-,23+,24+;14-,16+,17-,18+,19+,20-,21-,22+,23+/m111111/s1.
What are the key properties of 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile?
1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile has a molecular weight of 2625.84 g/mol, XLogP of 32.83, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-16-ethyl-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-1-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(5-methoxybenzotriazol-2-yl)ethanone;1-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-(6-methoxybenzotriazol-1-yl)ethanone;1-[2-[(3R,5S,8R,9S,10S,13S,14S,16R,17S)-3-hydroxy-3,10,13,16-tetramethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 158594742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).