[(2s,3s,4r,5r,6r)-3,5-dihydroxy-2-methyl-6-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] 2-methylbutanoate (CHEM348756)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 19:24:34 UTC | ||||||||
| Update Date | 2026-08-31 19:24:34 UTC | ||||||||
| Accession Number | CHEM348756 | ||||||||
| Identification | |||||||||
| Common Name | [(2s,3s,4r,5r,6r)-3,5-dihydroxy-2-methyl-6-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] 2-methylbutanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H40O15 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 676.237 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | [(2s,3s,4r,5r,6r)-3,5-dihydroxy-2-methyl-6-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] 2-methylbutanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC(C)C(=O)OC1C(C(OC(C1O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)C)O | ||||||||
| InChI Identifier | InChI=1S/C33H40O15/c1-5-14(2)31(41)48-30-25(36)15(3)44-32(29(30)40)43-13-23-26(37)27(38)28(39)33(47-23)45-18-10-19(34)24-20(35)12-21(46-22(24)11-18)16-6-8-17(42-4)9-7-16/h6-12,14-15,23,25-30,32-34,36-40H,5,13H2,1-4H3/t14?,15-,23+,25-,26+,27-,28+,29+,30+,32+,33+/m0/s1 | ||||||||
| InChI Key | QURQCINSSPAJEH-HRTMHOJESA-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 | ||||||||
