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Argentinogenin

CAT: 0013-GTR19189008-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189008-03Size:25 mg
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Description
Argentinogenin is a bioactive small molecule isolated from the traditional medicine Chan Su, exhibiting anti-cancer properties. It is utilized in cancer research, demonstrating cytotoxic effects in vitro and inhibiting tumor growth in animal models.
CAS Number
4236-48-0
Smiles
[H][C@]12CC[C@]3 ([H]) C (=C (O) C (=O) [C@]4 (C) [C@H] (CC[C@]34O) c3ccc (=O) oc3) [C@@]1 (C) CC[C@H] (O) C2 |t:6|
Molecular Formula
C24H30O6
Molecular Weight
414.498
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Argentinogen

structure

CAS Number4236-48-0
PubChem CID12305202
IUPAC Name5-[(3S,5R,8R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular FormulaC24H30O6
Molecular Weight414.5
XLogP1.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity915
SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3C2=C(C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
InChI
InChI=1S/C24H30O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,22+,23+,24+/m1/s1
InChIKey
UJNYXLCWBDUNMH-UQPKIQGCSA-N
Chemical Structure
2D Structure
2D structure of Argentinogen
CAS: 4236-48-0
CID: 12305202
Formula: C24H30O6
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass414.20423867
Monoisotopic Mass414.20423867
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity915
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T40525-01Argentinogenin

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