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Pinselin

CAT: 0013-GTR19255738-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255738-02Size:50 mg
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Description
Pinselin is a nitrogen-containing heterocyclic antibiotic with yeast-inhibiting properties.
CAS Number
476-53-9
Field of Research
Infectious Disease & Virology
Smiles
O=C (OC) C=1C (O) =CC=C2OC3=CC (=CC (O) =C3C (=O) C21) C
Molecular Formula
C16H12O6
Molecular Weight
300.263
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pinselin

Pinselin is a member of the class of xanthones that is methyl 9H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a methyl ester, a polyphenol, a member of xanthones and an aromatic ester.

CAS Number476-53-9
PubChem CID5377796
IUPAC Namemethyl 2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP3.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity464
SMILES
CC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)C(=O)OC)O
InChI
InChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3
InChIKey
TWQNCGDOHUNFFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pinselin
CAS: 476-53-9
CID: 5377796
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area93.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity464
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

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