Marrubenol (CHEM114258)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:29:06 UTC | ||||||||
| Update Date | 2026-05-21 00:39:54 UTC | ||||||||
| Accession Number | CHEM114258 | ||||||||
| Identification | |||||||||
| Common Name | Marrubenol | ||||||||
| Class | Small Molecule | ||||||||
| Description | Marrubenol is a compound with the chemical formula C20H32O4 and an average molecular weight of 336.47 g/mol. Marrubenol belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. This substance is found in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, printed circuit boards, cell phones, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Its presence is also recorded in food packaging within the food, food processing and cookware category. Additionally, it is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. In both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is found in lubricants. One other sector is also recorded as a source. Recorded exposure routes for the compound include oral, inhalation, and touch. | ||||||||
| Contaminant Sources | Not Available | ||||||||
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H32O4 | ||||||||
| Average Molecular Mass | 336.472 g/mol | ||||||||
| Monoisotopic Mass | 336.230 g/mol | ||||||||
| CAS Registry Number | 560-58-7 | ||||||||
| IUPAC Name | (1R,2R,5S,8aS)-1-[2-(Furan-3-yl)ethyl]-5-(hydroxymethyl)-2,5,8a-trimethyldecahydronaphthalene-1,4-diol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCC1=COC=C1 | ||||||||
| InChI Identifier | InChI=1S/C20H32O4/c1-14-11-16(22)17-18(2,13-21)7-4-8-19(17,3)20(14,23)9-5-15-6-10-24-12-15/h6,10,12,14,16-17,21-23H,4-5,7-9,11,13H2,1-3H3/t14-,16-,17+,18-,19+,20-/m1/s1 | ||||||||
| InChI Key | NZMHIKFTAXRIDL-FQFOHHTNSA-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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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
