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Eleutherin

CAT: 0013-GTR19260284-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260284-03Size:25 mg
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Description
Eleutherin is a natural product from Eleutherine americana
CAS Number
478-36-4
Purity
>98% (HPLC)
Solubility
DMSO : 16.67 mg/mL (61.22 mM; ultraphonic; )
Molecular Formula
C16H16O4
Molecular Weight
272.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(+)-Eleutherin

Eleutherin is a member of p-quinones and a benzoisochromanequinone.

CAS Number478-36-4
PubChem CID10166
IUPAC Name(1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Molecular FormulaC16H16O4
Molecular Weight272.29
XLogP2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity479
SMILES
C[C@H]1CC2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC
InChI
InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/s1
InChIKey
IAJIIJBMBCZPSW-DTWKUNHWSA-N
Chemical Structure
2D Structure
2D structure of (+)-Eleutherin
CAS: 478-36-4
CID: 10166
Formula: C16H16O4
MW: 272.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.29
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass272.10485899
Monoisotopic Mass272.10485899
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes