potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide

C112H175BrKO9P — CID 160995366

About potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide

potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide (PubChem CID 160995366) has the molecular formula C112H175BrKO9P and a molecular weight of 1815.60 g/mol. Its IUPAC name is potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide.

Molecular Properties

• Compound Name: potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide
• PubChem CID: 160995366
• Molecular Formula: C112H175BrKO9P
• Molecular Weight: 1815.60 g/mol
• Exact Mass: 1813.18
• IUPAC Name: potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide
• SMILES: Br.C1CCOC1.CC(C)(C)[O-].CC1(C)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.CC=C1CC[C@H]2[C@@H]3CC[C@H]4CC(C)(C)CC[C@@H]4[C@H]3CC[C@]12C.CCPc1ccccc1.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O.C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CCC2=O.C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CCC2O.[K+]
• InChI: InChI=1S/C22H36.C20H32O.C18H28O2.C18H26O2.C18H24O2.C8H11P.C4H8O.C4H9O.BrH.K/c1-5-16-7-9-20-19-8-6-15-14-21(2,3)12-10-17(15)18(19)11-13-22(16,20)4;1-19(2)10-8-14-13(12-19)4-5-16-15(14)9-11-20(3)17(16)6-7-18(20)21;3*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-2-9-8-6-4-3-5-7-8;1-2-4-5-3-1;1-4(2,3)5;;/h5,15,17-20H,6-14H2,1-4H3;13-17H,4-12H2,1-3H3;11,13-17,20H,2-10H2,1H3;11,13-16H,2-10H2,1H3;10,13-16H,2-9H2,1H3;3-7,9H,2H2,1H3;1-4H2;1-3H3;1H;/q;;;;;;;-1;;+1/t15-,17-,18+,19+,20-,22+;13-,14-,15+,16+,17-,20-;11-,13-,14+,15+,16-,17?,18-;11-,13-,14+,15+,16-,18-;13-,14+,15+,16-,18-;;;;;/m00000...../s1
• InChIKey: KDBGQDNWNBAZTL-ORFKPHDKSA-N
• XLogP: 23.42
• TPSA: 154.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1815.60
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide?

The IUPAC name of potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide (CID 160995366) is potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide.

What is the SMILES notation for potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide?

The canonical SMILES for potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide is Br.C1CCOC1.CC(C)(C)[O-].CC1(C)CC[C@H]2[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.CC=C1CC[C@H]2[C@@H]3CC[C@H]4CC(C)(C)CC[C@@H]4[C@H]3CC[C@]12C.CCPc1ccccc1.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O.C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CCC2=O.C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CCC2O.[K+].

What is the InChIKey of potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide?

The InChIKey is KDBGQDNWNBAZTL-ORFKPHDKSA-N. The full InChI is InChI=1S/C22H36.C20H32O.C18H28O2.C18H26O2.C18H24O2.C8H11P.C4H8O.C4H9O.BrH.K/c1-5-16-7-9-20-19-8-6-15-14-21(2,3)12-10-17(15)18(19)11-13-22(16,20)4;1-19(2)10-8-14-13(12-19)4-5-16-15(14)9-11-20(3)17(16)6-7-18(20)21;3*1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-2-9-8-6-4-3-5-7-8;1-2-4-5-3-1;1-4(2,3)5;;/h5,15,17-20H,6-14H2,1-4H3;13-17H,4-12H2,1-3H3;11,13-17,20H,2-10H2,1H3;11,13-16H,2-10H2,1H3;10,13-16H,2-9H2,1H3;3-7,9H,2H2,1H3;1-4H2;1-3H3;1H;/q;;;;;;;-1;;+1/t15-,17-,18+,19+,20-,22+;13-,14-,15+,16+,17-,20-;11-,13-,14+,15+,16-,17?,18-;11-,13-,14+,15+,16-,18-;13-,14+,15+,16-,18-;;;;;/m00000...../s1.

What are the key properties of potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide?

potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide has a molecular weight of 1815.60 g/mol, XLogP of 23.42, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;(5S,8R,9R,10S,13S,14S)-17-ethylidene-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene;ethyl(phenyl)phosphane;(5S,8R,9R,10S,13S,14S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione;2-methylpropan-2-olate;(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione;oxolane;(5S,8R,9R,10S,13S,14S)-3,3,13-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one;hydrobromide is sourced from PubChem (CID 160995366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).