3-[(6-Deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide (Glucodigifucoside) (CHEM114237)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:25:20 UTC | ||||||||
| Update Date | 2026-05-21 00:37:18 UTC | ||||||||
| Accession Number | CHEM114237 | ||||||||
| Identification | |||||||||
| Common Name | 3-[(6-Deoxy-4-O-hexopyranosylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide (Glucodigifucoside) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H54O13 | ||||||||
| Average Molecular Mass | 682.804 g/mol | ||||||||
| Monoisotopic Mass | 682.356 g/mol | ||||||||
| CAS Registry Number | 2446-63-1 | ||||||||
| IUPAC Name | (17R)-3beta-{[(4xi)-6-Deoxy-4-O-beta-D-glucopyranosyl-L-xylo-hexopyranosyl]oxy}-14-hydroxy-5beta-card-20(22)-enolide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC1([H])O[C@@]([H])(C)C([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O)C1=CC(=O)OC1 | ||||||||
| InChI Identifier | InChI=1S/C35H54O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12,16,18-23,25-32,36,38-43H,4-11,13-15H2,1-3H3/t16-,18+,19-,20+,21-,22+,23+,25+,26-,27-,28+,29-,30?,31?,32-,33-,34+,35-/m0/s1 | ||||||||
| InChI Key | OQZGLOBKVNEEPK-HYYJYYHTSA-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 | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
