6-O-Isobutyryl-butyrylhelenalin (CHEM114670)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 02:19:46 UTC | ||||||||
| Update Date | 2026-05-21 02:03:14 UTC | ||||||||
| Accession Number | CHEM114670 | ||||||||
| Identification | |||||||||
| Common Name | 6-O-Isobutyryl-butyrylhelenalin | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H24O5 | ||||||||
| Average Molecular Mass | 308.374 g/mol | ||||||||
| Monoisotopic Mass | 308.162 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | (3aR,4R,4aS,7aS,8S,9aS)-4a,8-Dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydrofuro[2',3':4,5]cyclohepta[1,2-c][1,2]dioxol-4-yl 2-methylpropanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C(=O)O[C@@H]1[C@@H]2[C@H](C[C@H](C)[C@H]3C=CO[C@]13C)OOC2=C | ||||||||
| InChI Identifier | InChI=1S/C17H24O5/c1-9(2)16(18)20-15-14-11(4)21-22-13(14)8-10(3)12-6-7-19-17(12,15)5/h6-7,9-10,12-15H,4,8H2,1-3,5H3/t10-,12+,13-,14-,15+,17-/m0/s1 | ||||||||
| InChI Key | XNUKPHBHHJFWOV-NMBQJPEOSA-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 | ||||||||
