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Palitantin

CAT: 0013-GTR19228178-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228178-01Size:1 mg
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Description
Palitantin (CAS 15265-28-8) is a fungal metabolite used as a research tool in life sciences. It serves as a model compound in studies of polyketide biosynthesis and has been investigated in vitro for its antifungal and phytotoxic properties.
CAS Number
15265-28-8
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
CCC\C=C\C=C\C1C[C@@H] (O) [C@@H] (O) C (=O) [C@H]1CO
Molecular Formula
C14H22O4
Molecular Weight
254.326
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Palitantin

Palitantin is an organic hydroxy compound.

CAS Number15265-28-8
PubChem CID6438427
IUPAC Name(2R,3R,5S,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
Molecular FormulaC14H22O4
Molecular Weight254.32
XLogP1.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CCC/C=C/C=C/[C@@H]1C[C@H]([C@H](C(=O)[C@H]1CO)O)O
InChI
InChI=1S/C14H22O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,10-12,14-16,18H,2-3,8-9H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1
InChIKey
MPOXQBRZHHNMER-XZQMCIKJSA-N
Chemical Structure
2D Structure
2D structure of Palitantin
CAS: 15265-28-8
CID: 6438427
Formula: C14H22O4
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass254.15180918
Monoisotopic Mass254.15180918
Topological Polar Surface Area77.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791224Palitantin
207318Palitantin (NSC 246119)

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