Products for Research Use Only

Sarsasapogenin

CAT: 0013-GTR19174672-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174672-05Size:500 mg
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Description
Sarsasapogenin (Parigenin) is a steroidal sapogenin originally isolated from sarsaparilla (Smilax sp.) . As a key research compound, it is used in vitro and in vivo to study steroidal biosynthesis and has been investigated for its potential biological activities in models of inflammation and metabolic disorders.
CAS Number
126-19-2
Product Name Alternative
Apoptosis inducer, NF-κB, NF-kB, NFκB, NFkB, Nuclear factor-kappaB, Nuclear factor-κB, Parigenin, inhibit, Endogenous Metabolite, EndogenousMetabolite, Inhibitor, Sarsagenin, Sarsasapogenin
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
90.00% (May vary between batches)
Solubility
DMSO:1 mg/mL (2.4 mM) ; H2O:Insoluble
Smiles
C[C@@H]1[C@@]2 (CC[C@@H] (CO2) C) O[C@]3 ([H]) [C@@]1 ([H]) [C@@]4 ([C@@] ([C@@]5 ([H]) [C@] ([C@@]6 ([C@] (C[C@H] (CC6) O) ([H]) CC5) C) ([H]) CC4) ([H]) C3) C
Molecular Formula
C27H44O3
Molecular Weight
416.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sarsasapogenin

(25S)-5beta-spirostan-3beta-ol is a sapogenin.

CAS Number126-19-2
PubChem CID92095
IUPAC Name(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Molecular FormulaC27H44O3
Molecular Weight416.6
XLogP6.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity694
SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey
GMBQZIIUCVWOCD-WWASVFFGSA-N
Chemical Structure
2D Structure
2D structure of Sarsasapogenin
CAS: 126-19-2
CID: 92095
Formula: C27H44O3
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass416.32904526
Monoisotopic Mass416.32904526
Topological Polar Surface Area38.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity694
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes