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Α-santonin

CAT: 1410-M18614-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M18614-02Size:1 g
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Description
Α-santonin is a potent antiparasitic agent.
CAS Number
481-06-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
246.3
Molecular Formula
C15H18O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(-)-Santonin

Alpha-santonin is a santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. It has a role as a plant metabolite. It is a santonin and a botanical anti-fungal agent.

CAS Number481-06-1
PubChem CID221071
IUPAC Name(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Molecular FormulaC15H18O3
Molecular Weight246.30
XLogP2.3
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity500
SMILES
C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C
InChI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-N
Chemical Structure
2D Structure
2D structure of (-)-Santonin
CAS: 481-06-1
CID: 221071
Formula: C15H18O3
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass246.125594432
Monoisotopic Mass246.125594432
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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