Brevenal (CHEM135148)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 21:46:40 UTC | ||||||||
| Update Date | 2026-05-14 20:05:12 UTC | ||||||||
| Accession Number | CHEM135148 | ||||||||
| Identification | |||||||||
| Common Name | Brevenal | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C39H60O8 | ||||||||
| Average Molecular Mass | 656.901 g/mol | ||||||||
| Monoisotopic Mass | 656.429 g/mol | ||||||||
| CAS Registry Number | 776331-34-1 | ||||||||
| IUPAC Name | (2E,4E)-7-[(1S,3R,5S,7S,8S,10R,12S,13S,15R,18S,20R,21S,24R)-20-[(3Z)-hexa-3,5-dien-1-yl]-12,21-dihydroxy-7,10,15,21-tetramethyl-4,9,14,19,25-pentaoxapentacyclo[13.10.0.0^{3,13}.0^{5,10}.0^{18,24}]pentacosan-8-yl]-3,4-dimethylhepta-2,4-dienal | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12C[C@]3([H])O[C@]4([H])CC[C@](C)(O)[C@@H](CC\C=C/C=C)O[C@@]4([H])CC[C@@]3(C)O[C@@]1([H])[C@@H](O)C[C@@]1(C)O[C@@H](CC\C=C(/C)\C(\C)=C\C=O)[C@@H](C)C[C@]1([H])O2 | ||||||||
| InChI Identifier | InChI=1S/C39H60O8/c1-8-9-10-11-15-33-37(5,42)19-16-30-31(43-33)17-20-38(6)35(44-30)23-32-36(47-38)28(41)24-39(7)34(45-32)22-27(4)29(46-39)14-12-13-25(2)26(3)18-21-40/h8-10,13,18,21,27-36,41-42H,1,11-12,14-17,19-20,22-24H2,2-7H3/b10-9-,25-13+,26-18+/t27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+/m0/s1 | ||||||||
| InChI Key | JPBOABGEVHVPNM-LPEULFRDSA-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 | ||||||||
