| Identification | Back Directory | [Name]
scillaren A | [CAS]
124-99-2 | [Synonyms]
Scillaren
Transvalin
scillaren A
Transvaalin
Scillaglykosid A
Scillaren A >=90% (LC/MS-ELSD)
3β-[(4-O-β-D-Glucopyranosyl-6-deoxy-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide
Bufa-4,20,22-trienolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14-hydroxy-, (3β)- | [EINECS(EC#)]
204-721-3 | [Molecular Formula]
C36H52O13 | [MDL Number]
MFCD00869441 | [MOL File]
124-99-2.mol | [Molecular Weight]
692.79 |
| Chemical Properties | Back Directory | [Melting point ]
184-186°; mp 208-211°; mp 230-240°; mp 270° | [alpha ]
D23 -71.9° (c = 1.011 in methanol); D20 -72 to -78° (c = 1 to 3 in 75% alcohol); D20 -73.8° | [Boiling point ]
619.4°C (rough estimate) | [density ]
1.1561 (rough estimate) | [refractive index ]
1.6000 (estimate) | [storage temp. ]
-20°C | [form ]
solid | [pka]
12.88±0.70(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChIKey]
NXJOCELNFPGKIV-ARHXXGKOSA-N | [SMILES]
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral | [Toxicity]
LD50 i.v. in rats: 15.5 mg/kg (Vogel, Kluge) |
| Hazard Information | Back Directory | [Uses]
Scillaren A is a steroidal glycoside obtained from Scilla maderensis Menezes (Hyacinthaceae), and is considered a cardiac glycoside used in the medical treatment of heart diseases. | [Biological Activity]
Scillaren A might inhibit Na+/K+-ATPase. |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|