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Tenuifolin

CAT: 0013-GTR19159903-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159903-02Size:500 mg
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Description
Tenuifolin has no inherent toxicity to either the transfected or wild type cells at the effective concentrations, it inhibits amyloid-β secretion in vitro.
CAS Number
20183-47-5
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (146.88 mM)
Smiles
C1[C@@H] ([C@@H] ([C@] ([C@@H]2CC[C@]3 ([C@@]4 (CC[C@]5 (CCC (C[C@H]5C4=CC[C@@H]3[C@@]12C) (C) C) C (=O) O) CO) C) (C (=O) O) C) O[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O) O) O) CO) O
Molecular Formula
C36H56O12
Molecular Weight
680.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Tenuifolin

Tenuifolin is a triterpenoid saponin.

CAS Number20183-47-5
PubChem CID21588226
IUPAC Name(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Molecular FormulaC36H56O12
Molecular Weight680.8
XLogP2.2
Topological Polar Surface Area214
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count48
Formal Charge0
Complexity1330
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C
InChI
InChI=1S/C36H56O12/c1-31(2)10-11-35(30(45)46)12-13-36(17-38)18(19(35)14-31)6-7-22-32(3)15-20(39)27(34(5,29(43)44)23(32)8-9-33(22,36)4)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34-,35-,36-/m0/s1
InChIKey
DBJLNNAUDGIUAE-YGIRLYIESA-N
Chemical Structure
2D Structure
2D structure of Tenuifolin
CAS: 20183-47-5
CID: 21588226
Formula: C36H56O12
MW: 680.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight680.8
XLogP32.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass680.37717722
Monoisotopic Mass680.37717722
Topological Polar Surface Area214 Ų
Heavy Atom Count48
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes