Lefleuganan (CHEM137574)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 18:10:42 UTC | ||||||||
| Update Date | 2026-05-14 20:47:26 UTC | ||||||||
| Accession Number | CHEM137574 | ||||||||
| Identification | |||||||||
| Common Name | Lefleuganan | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C62H102FN11O10 | ||||||||
| Average Molecular Mass | 1180.563 g/mol | ||||||||
| Monoisotopic Mass | 1179.780 g/mol | ||||||||
| CAS Registry Number | 2233558-98-8 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)C1=CC=C(F)C=C1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC1(CN(C)C)CCC1 | ||||||||
| InChI Identifier | InChI=1S/C62H102FN11O10/c1-38(2)34-45(51(77)67-47(36-40(5)6)53(79)71-61(11,12)58(84)72-59(7,8)56(82)64-32-29-49(75)69-62(30-19-31-62)37-73(13)14)68-57(83)60(9,10)70-52(78)46(35-39(3)4)66-50(76)44(28-23-41-20-16-15-17-21-41)65-54(80)48-22-18-33-74(48)55(81)42-24-26-43(63)27-25-42/h24-27,38-41,44-48H,15-23,28-37H2,1-14H3,(H,64,82)(H,65,80)(H,66,76)(H,67,77)(H,68,83)(H,69,75)(H,70,78)(H,71,79)(H,72,84)/t44-,45-,46-,47-,48-/m0/s1 | ||||||||
| InChI Key | YAKYXJJMYOZOCV-KUJURARGSA-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 | ||||||||
