3,14,16-Trihydroxy-19-oxocard-20(22)-enolide (Adonitoxigenin) (CHEM114202)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:20:36 UTC | ||||||||
| Update Date | 2026-05-21 00:33:34 UTC | ||||||||
| Accession Number | CHEM114202 | ||||||||
| Identification | |||||||||
| Common Name | 3,14,16-Trihydroxy-19-oxocard-20(22)-enolide (Adonitoxigenin) | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3,14,16-Trihydroxy-19-oxocard-20(22)-enolide (Adonitoxigenin) belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula $\text{C}_{23}\text{H}_{32}\text{O}_6$ and an average molecular weight of 404.50 g/mol. The compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Other identified sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one more sector. Recorded exposure routes for this substance include inhalation, oral, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H32O6 | ||||||||
| Average Molecular Mass | 404.503 g/mol | ||||||||
| Monoisotopic Mass | 404.220 g/mol | ||||||||
| CAS Registry Number | 468-17-7 | ||||||||
| IUPAC Name | (8xi,9xi,17R)-3beta,14,16-Trihydroxy-19-oxo-5beta-card-20(22)-enolide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@]1(O)C[C@]2(O)C3([H])CC[C@]4([H])C[C@@]([H])(O)CC[C@]4(C=O)C3([H])CC[C@]2(C)[C@@]1([H])C1=CC(=O)OC1 | ||||||||
| InChI Identifier | InChI=1S/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)10-18(26)20(21)13-8-19(27)29-11-13/h8,12,14-18,20,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16?,17?,18+,20+,21-,22-,23+/m1/s1 | ||||||||
| InChI Key | IMQSXGFUSQSPIM-QLNVYLSKSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
