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Soyasapogenol A

CAT: 1410-M31460-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31460-02Size:5 mg
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Description
Soyasapogenol A shows estrogenic and hepatoprotective activities, it directly prevents apoptosis of hepatocytes, and secondly, inhibits the elevation of plasma TNF-α±, which consequently resulted in the prevention of liver damage in the concanavalin A-induced hepatitis model.
CAS Number
508-01-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
474.7
Molecular Formula
C30H50O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Soyasapogenol A

Soyasapogenol A is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 21beta, 22beta and 24-positions. It derives from a hydride of an oleanane.

CAS Number508-01-0
PubChem CID12442849
IUPAC Name(3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
Molecular FormulaC30H50O4
Molecular Weight474.7
XLogP5.8
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity881
SMILES
C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC([C@H]([C@H]5O)O)(C)C)C)C)C)(C)CO)O
InChI
InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(4)12-11-22(32)28(5,17-31)20(27)10-13-30(21,7)29(18,6)15-14-26(19,3)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey
CDDWAYFUFNQLRZ-KJVHGCRFSA-N
Chemical Structure
2D Structure
2D structure of Soyasapogenol A
CAS: 508-01-0
CID: 12442849
Formula: C30H50O4
MW: 474.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.7
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass474.37091007
Monoisotopic Mass474.37091007
Topological Polar Surface Area80.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2362Soyasapogenol A
HY-N6073RSoyasapogenol A (Standard)
AAA59514-01Soyasapogenol C
FS42669-01Soyasapogenol B
TN2227Soyasapogenol D

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