Products 157604-98-3

CAS 157604-98-3 is the registry number for Dehydrotomatine. Offered by: GLPBio, Biosynth. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 50mg.

Dehydrotomatine
GLPBio, Biosynth
  • size: 1mg, 10mg, 5mg, 25mg
  • Variants: 6
from 2604.97
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Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC50H81NO21
Molecular weight1032.2 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
InChIKeyBYMOGFTUZUEFHY-SIUCFGLGSA-N
SMILESC[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)

Synonyms: Dehydrotomatine, dehydrotomatin, 5,6-dehydrotomatine, orb1707993