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9-Hydroxyoudemansin A

CAT: 0013-GTR19256014-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256014-02Size:50 mg
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Description
9-Hydroxyoudemansin A exhibits antifungal activity with a minimum inhibitory concentration (MIC) of 12.5 μg/mL against Saccharomyces cerevisiae. It shows resistance to fungi such as Candida albicans, Rhodotorula, Penicillium, and Streptomyces, with MIC values all exceeding 50 μg/mL. It does not possess antibacterial properties.
CAS Number
225937-85-9
Field of Research
Infectious Disease & Virology
Smiles
C (\[C@@H] ([C@H] (/C=C/C1=CC=CC=C1) O) C) (/C (OC) =O) =C\OC
Molecular Formula
C16H20O4
Molecular Weight
276.328
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-Hydroxyoudemansin A

9-Hydroxyoudemansin A is a phenylpropanoid.

CAS Number225937-85-9
PubChem CID10754928
IUPAC Namemethyl (E,2E,3R,4S)-4-hydroxy-2-(methoxymethylidene)-3-methyl-6-phenylhex-5-enoate
Molecular FormulaC16H20O4
Molecular Weight276.33
XLogP2.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity353
SMILES
C[C@@H]([C@H](/C=C/C1=CC=CC=C1)O)/C(=C\OC)/C(=O)OC
InChI
InChI=1S/C16H20O4/c1-12(14(11-19-2)16(18)20-3)15(17)10-9-13-7-5-4-6-8-13/h4-12,15,17H,1-3H3/b10-9+,14-11+/t12-,15+/m1/s1
InChIKey
REMSURQDUDTWHG-MIAXAGHPSA-N
Chemical Structure
2D Structure
2D structure of 9-Hydroxyoudemansin A
CAS: 225937-85-9
CID: 10754928
Formula: C16H20O4
MW: 276.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.33
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass276.13615911
Monoisotopic Mass276.13615911
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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