lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide

C44H71Cl5FeI2K3LiMgO4+ — CID 167558308

About lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide

lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide (PubChem CID 167558308) has the molecular formula C44H71Cl5FeI2K3LiMgO4+ and a molecular weight of 1299.51 g/mol. Its IUPAC name is lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide.

Molecular Properties

• Compound Name: lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide
• PubChem CID: 167558308
• Molecular Formula: C44H71Cl5FeI2K3LiMgO4+
• Molecular Weight: 1299.51 g/mol
• Exact Mass: 1296.02
• IUPAC Name: lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide
• SMILES: CC(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C.CC(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.Cl[Fe](Cl)Cl.[CH3-].[Cl-].[Cl-].[I-].[I-].[K+].[K+].[K+].[Li+].[Mg+2]
• InChI: InChI=1S/C22H36O2.C21H32O2.CH3.5ClH.Fe.2HI.3K.Li.Mg/c1-14(23)19-5-4-6-20-18-8-7-15-13-21(2,24)11-9-16(15)17(18)10-12-22(19,20)3;1-13(22)19-4-3-5-20-18-8-6-14-12-15(23)7-9-16(14)17(18)10-11-21(19,20)2;;;;;;;;;;;;;;/h15-20,24H,4-13H2,1-3H3;14,16-20H,3-12H2,1-2H3;1H3;5*1H;;2*1H;;;;;/q;;-1;;;;;;+3;;;4*+1;+2/p-7/t15-,16-,17+,18+,19+,20-,21+,22+;14-,16-,17+,18+,19+,20-,21+;;;;;;;;;;;;;;/m00............../s1
• InChIKey: ARKIPSHUEGPDGD-ITXGHZNBSA-G
• XLogP: -12.04
• TPSA: 71.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1299.51
LogP ≤ 5	-12.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide?

The IUPAC name of lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide (CID 167558308) is lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide.

What is the SMILES notation for lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide?

The canonical SMILES for lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide is CC(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@H]4[C@H]3CC[C@]12C.CC(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C.Cl[Fe](Cl)Cl.[CH3-].[Cl-].[Cl-].[I-].[I-].[K+].[K+].[K+].[Li+].[Mg+2].

What is the InChIKey of lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide?

The InChIKey is ARKIPSHUEGPDGD-ITXGHZNBSA-G. The full InChI is InChI=1S/C22H36O2.C21H32O2.CH3.5ClH.Fe.2HI.3K.Li.Mg/c1-14(23)19-5-4-6-20-18-8-7-15-13-21(2,24)11-9-16(15)17(18)10-12-22(19,20)3;1-13(22)19-4-3-5-20-18-8-6-14-12-15(23)7-9-16(14)17(18)10-11-21(19,20)2;;;;;;;;;;;;;;/h15-20,24H,4-13H2,1-3H3;14,16-20H,3-12H2,1-2H3;1H3;5*1H;;2*1H;;;;;/q;;-1;;;;;;+3;;;4*+1;+2/p-7/t15-,16-,17+,18+,19+,20-,21+,22+;14-,16-,17+,18+,19+,20-,21+;;;;;;;;;;;;;;/m00............../s1.

What are the key properties of lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide?

lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide has a molecular weight of 1299.51 g/mol, XLogP of -12.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;magnesium;tripotassium;(4aS,4bR,6aS,7S,10aS,10bR,12aS)-7-acetyl-6a-methyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-one;1-[(1S,4aS,4bR,6aS,8R,10aS,10bR,12aS)-8-hydroxy-8,12a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7,9,10,10a,10b,11,12-hexadecahydrochrysen-1-yl]ethanone;carbanide;trichloroiron;dichloride;diiodide is sourced from PubChem (CID 167558308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).