Catalogue Number: TG857
4-(Trifluoromethyl)umbelliferyl β-D-cellotrioside
7-[(O-β-D-Glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Categories
Properties
- CAS Number
- 116981-90-9
- Molecular Formula
- C28H35F3O18
- Molecular Weight
- 716.56
- Chemical Purity
- Min. 95% [HPLC-UVD]
- Appearance
- White Crystalline Solid
- Melting Point
- 247-251 °C
- Solubility
- DMSO, H2O (warm)
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to 8 °C.
- Shipping Conditions
- Ambient Temperature
- Tariff Code (United States)
- 2938900000
Safety
Not a dangerous substance according to GHS.
Search Terms
IUPAC Name
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-{(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[4-(trifluoromethyl)-7-coumarinyloxy]tetrahydro-2H-pyran-3-yloxy}-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yloxy]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
InChI
InChI=1S/C28H35F3O18/c29-28(30,31)10-4-15(35)44-11-3-8(1-2-9(10)11)43-25-21(41)18(38)23(13(6-33)46-25)49-27-22(42)19(39)24(14(7-34)47-27)48-26-20(40)17(37)16(36)12(5-32)45-26/h1-4,12-14,16-27,32-34,36-42H,5-7H2/t12-,13-,14-,16-,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-/m1/s1
InChI Key
CSEGIKFULSNPJZ-FELMADTESA-N
Smiles
O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)OC1=CC=C2C(=CC(OC2=C1)=O)C(F)(F)F)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O