Isosteviol (CHEM134231)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 21:05:27 UTC | ||||||||
| Update Date | 2026-05-14 20:00:01 UTC | ||||||||
| Accession Number | CHEM134231 | ||||||||
| Identification | |||||||||
| Common Name | Isosteviol | ||||||||
| Class | Small Molecule | ||||||||
| Description | Isosteviol belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C20H30O3 and an average molecular weight of 318.46 g/mol. It is classified within the superclass of lipids and lipid-like molecules. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H30O3 | ||||||||
| Average Molecular Mass | 318.457 g/mol | ||||||||
| Monoisotopic Mass | 318.219 g/mol | ||||||||
| CAS Registry Number | 27975-19-5 | ||||||||
| IUPAC Name | (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1 | ||||||||
| InChI Key | KFVUFODCZDRVSS-XGBBNYNSSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
