(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol (CHEM347725)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 17:47:05 UTC | ||||||||
| Update Date | 2026-08-31 17:47:05 UTC | ||||||||
| Accession Number | CHEM347725 | ||||||||
| Identification | |||||||||
| Common Name | (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol | ||||||||
| Class | Small Molecule | ||||||||
| Description | (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol is a compound with the formula C31H56N2O2+2. It has an average molecular weight of 488.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H56N2O2+2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 488.434 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,17-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC12CCC3C(C1CC(C2[N+]4(CCCCC4)C)O)CCC5C3(CC(C(C5)O)[N+]6(CCCCC6)C)C | ||||||||
| InChI Identifier | InChI=1S/C31H56N2O2/c1-30-14-13-24-23(25(30)20-28(35)29(30)33(4)17-9-6-10-18-33)12-11-22-19-27(34)26(21-31(22,24)2)32(3)15-7-5-8-16-32/h22-29,34-35H,5-21H2,1-4H3/q+2/t22-,23+,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1 | ||||||||
| InChI Key | PUVMYYBNVPGZKM-OBIZLECESA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
