Tomatine
Suppliers
Names
[ CAS No. ]:
17406-45-0
[ Name ]:
Tomatine
[Synonym ]:
Lycopersicin
(3β,5α,25S)-Spirosolan-3-yl-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
EINECS 241-429-5
TOMATINE
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxyméthyl)-6-{[(2S,4aS,4bS,5'S,6aS,6bR,7S,8S,9aS,10aS,10bR,12aS)-4a,5',6a,7-tétraméthyloctadécahydrospiro[naphto[2',1':4,5]indéno[2,1-b]furane-8,2'-pipéridin]-2-yl]oxy}tétrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxyméthyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-3-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol
Tomatin
(3β,5α,25S)-Spirosolan-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-{[(2S,4aS,4bS,5'S,6aS,6bR,7S,8S,9aS,10aS,10bR,12aS)-4a,5',6a,7-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidin]-2-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Chemical & Physical Properties
[ Density]:
1.5±0.1 g/cm3
[ Melting Point ]:
300-305ºC
[ Molecular Formula ]:
C50H83NO21
[ Molecular Weight ]:
1034.19
[ Exact Mass ]:
1033.545776
[ PSA ]:
337.86000
[ LogP ]:
2.22
[ Index of Refraction ]:
1.638
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XW1050000
- CHEMICAL NAME :
- Tomatine
- CAS REGISTRY NUMBER :
- 17406-45-0
- BEILSTEIN REFERENCE NO. :
- 0078250
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C50-H83-N-O21
- MOLECULAR WEIGHT :
- 1034.34
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Microorganism - not otherwise specified
- DOSE/DURATION :
- 25 ppm
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979
Safety Information
[ Hazard Codes ]:
Xn: Harmful;
[ Risk Phrases ]:
R23/25
[ Safety Phrases ]:
45-24/25-22
[ RIDADR ]:
UN 1544
[ RTECS ]:
XW1050000
[ HS Code ]:
29329990