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Shanzhiside

CAT: 0013-GTR19155351-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155351-04Size:1 g
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Description
Shanzhiside has immunosuppressive activity, it shows significant inhibition of IL-2 secretion by phorbol myristate acetate and anti-CD28 monoclonal antibody co-stimulated activation of human peripheral blood T cells.
CAS Number
29836-27-9
Product Name Alternative
Shanziside
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (127.43 mM)
Smiles
C[C@] (C[C@H] ([C@H]12) O) ([C@H]2[C@H] (O[C@@H] ([C@@H] ([C@H]2O) O) O[C@H] (CO) [C@H]2O) OC=C1C (O) =O) O
Molecular Formula
C16H24O11
Molecular Weight
392.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Shanzhiside

Shanzhiside is a terpene glycoside.

CAS Number29836-27-9
PubChem CID11948668
IUPAC Name(1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Molecular FormulaC16H24O11
Molecular Weight392.35
XLogP-2.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C16H24O11/c1-16(24)2-6(18)8-5(13(22)23)4-25-14(9(8)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4,6-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey
YSIFYNVXJOGADM-KDYWOABDSA-N
Chemical Structure
2D Structure
2D structure of Shanzhiside
CAS: 29836-27-9
CID: 11948668
Formula: C16H24O11
MW: 392.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.35
XLogP3-2.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass392.13186158
Monoisotopic Mass392.13186158
Topological Polar Surface Area186 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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