Dehydrotomatine
cas: 157604-98-3 — see every product listed under this CAS number, including other names
Dehydrotomatine (CAS 157604-98-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 50mg. Offered by: GLPBio, Biosynth.
| brand | GLPBio |
|---|---|
| catalog number | GC63403-1 |
| cas | 157604-98-3 |
| size | 1mg |
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Available pack sizes
| brand | size | price | |
|---|---|---|---|
| GLPBio | 1mg | 2604.97 Pln | |
| GLPBio | 10mg | 10458.85 Pln | |
| GLPBio | 5mg | 6648.93 Pln | |
| Biosynth | 25mg | price on request | |
| Biosynth | 10mg | price on request | |
| Biosynth | 50mg | price on request |
properties
| purity | No data |
|---|---|
| delivery time | To be confirmed by Chemat |
5,6-dehydrotomatine is a steroid alkaloid that consists of tomatine which has undergone formal dehydrogenation across positions 5 and 6. Found in tomatoes. It has a role as an antifungal agent, a phytotoxin and a plant metabolite. It is a glycoside, a steroid alkaloid, a tetrasaccharide derivative and an alkaloid antibiotic. It is functionally related to a tomatine.
Source: ChEBI
| Molecular formula | C50H81NO21 |
|---|---|
| Molecular weight | 1032.2 g/mol |
| IUPAC name | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | BYMOGFTUZUEFHY-SIUCFGLGSA-N |
| SMILES | C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)NC1 |
Computed by PubChem (NCBI)