3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate (Germidine) (CHEM114463)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 01:49:30 UTC | ||||||||
| Update Date | 2026-05-21 01:24:27 UTC | ||||||||
| Accession Number | CHEM114463 | ||||||||
| Identification | |||||||||
| Common Name | 3-(Acetyloxy)-4,7,14,16,20-pentahydroxy-4,9-epoxycevan-15-yl 2-methylbutanoate (Germidine) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
| ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C34H53NO10 | ||||||||
| Average Molecular Mass | 635.795 g/mol | ||||||||
| Monoisotopic Mass | 635.367 g/mol | ||||||||
| CAS Registry Number | 465-77-0 | ||||||||
| IUPAC Name | 3S,5xi,8xi,12xi,13xi,17xi)-3-(Acetyloxy)-4alpha,7alpha,14,16beta,20-pentahydroxy-4,9-epoxycevan-15alpha-yl 2-methylbutanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]C(C)(CC)C(=O)O[C@@]1([H])[C@]([H])(O)C2([H])C([H])(CN3C[C@@]([H])(C)CC[C@@]3([H])[C@@]2(C)O)C2([H])C[C@@]34O[C@@]5(O)C([H])(C[C@@]([H])(O)C3([H])[C@]12O)[C@]4(C)CC[C@]5([H])OC(C)=O | ||||||||
| InChI Identifier | InChI=1S/C34H53NO10/c1-7-17(3)29(39)44-28-26(38)25-19(15-35-14-16(2)8-9-23(35)31(25,6)40)20-13-32-27(33(20,28)41)21(37)12-22-30(32,5)11-10-24(43-18(4)36)34(22,42)45-32/h16-17,19-28,37-38,40-42H,7-15H2,1-6H3/t16-,17?,19?,20?,21+,22?,23-,24-,25?,26+,27?,28-,30-,31+,32+,33-,34-/m0/s1 | ||||||||
| InChI Key | OPCXCFMPHIBOMS-ROYCHNIZSA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
