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Ceylantin

CAT: 0013-GTR19231698-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231698-01Size:1 mg
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Description
Ceylantin (CAS 68421-13-6) is a natural product suitable for use as a reference standard in research. It is applied in pharmacological studies, particularly in in vitro assays investigating its potential biological activities.
CAS Number
68421-13-6
Smiles
COc1c2OC (C) (C) C=Cc2c (OC) c2ccc (=O) oc12
Molecular Formula
C16H16O5
Molecular Weight
288.299
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Racemosin

Racemosin is a member of coumarins.

CAS Number68421-13-6
PubChem CID155148
IUPAC Name5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
Molecular FormulaC16H16O5
Molecular Weight288.29
XLogP2.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C
InChI
InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
InChIKey
QZUNAFWZEXJWGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Racemosin
CAS: 68421-13-6
CID: 155148
Formula: C16H16O5
MW: 288.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.29
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass288.09977361
Monoisotopic Mass288.09977361
Topological Polar Surface Area54 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5789915Ceylantin

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