.Alpha.-Irigermanal (CHEM114672)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 02:19:59 UTC | ||||||||
| Update Date | 2026-05-21 02:05:04 UTC | ||||||||
| Accession Number | CHEM114672 | ||||||||
| Identification | |||||||||
| Common Name | .Alpha.-Irigermanal | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H52O3 | ||||||||
| Average Molecular Mass | 472.754 g/mol | ||||||||
| Monoisotopic Mass | 472.392 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (2E)-2-{4-Hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E)-4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-en-1-yl]cyclohexylidene}propanal | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1CC=C(C)C(CCC(C)=CCCC2(C)C(CCCO)C(CCC2(C)O)=C(/C)C=O)C1(C)C | ||||||||
| InChI Identifier | InChI=1S/C31H52O3/c1-22(13-16-27-23(2)14-15-25(4)29(27,5)6)11-9-18-30(7)28(12-10-20-32)26(24(3)21-33)17-19-31(30,8)34/h11,14,21,25,27-28,32,34H,9-10,12-13,15-20H2,1-8H3/b22-11+,26-24+ | ||||||||
| InChI Key | GJYZRMAFYKGFKM-FLUGPJFHSA-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 | ||||||||
