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Tomatine
Tomatine / CAS : 17406-45-0
| Appearance | White to light yellow solid | UN | - |
| HS | 29397990 | DG Class | - |
| Synonyms | Lycopersicin; β-D-Galactopyranoside, (3β,5α,22β,25S)-Spirosolan-3-Yl O-β-D-Glucopyranosyl-(1-2)-O-[α-D-Xylopyranosyl-(1-3)]-; Tomatin; A’’-Tomatidine; Alpha-Tomatine; Beta-D-Galactopyranoside,(3Beta,5Alpha,22Beta,25S)-Spirosolan-3-Ylo-Beta-D-Gl; Tomatidine,Glycoside; Ucopyranosyl-(1-2)-O-(Beta-D-Xylopyranosyl-(1-3))-O-Beta-D-Glucopyranosyl-(1-4; Lycoperiscin | ||
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RFQ
Properties
Summary
Formula
C50H83NO21
Molecular Mass
1034.19000
Exact Mass
1033.55000
PSA
337.86000
Logp
-2.36850
IUPAC
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-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
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[C@@H]6[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
Attribute classification
Matter Classification
organic
Category
Plant and Other Extracts > Plant Extracts
Chemical and Physical Properties
Melting Point
300-305ºC
Density
1.48 g/cm3
Boiling Point
806.69°C (rough estimate)
Appearance
White to light yellow solid
Acidity and Basicity
alkalinity
Export information
HS Code
29397990
Export Rebate
13%
Risk Code
R23/25-22
Safety Label
Xn
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