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Deflectin 1a

CAT: 0013-GTR19255704-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255704-01Size:50 mg
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Description
Deflectin 1a is an antibiotic with activities such as lysing bacteria, lysing red blood cells, and inhibiting Ehrlich ascites cancer cells. However, its effectiveness can be neutralized by the addition of serum or serum albumin.
CAS Number
79495-61-7
Field of Research
Infectious Disease & Virology
Smiles
C[C@]12C (C=3C (=CC1=O) C=C (C) OC3) =C (C (CCCCCCC) =O) C (=O) O2
Molecular Formula
C21H24O5
Molecular Weight
356.412
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deflectin 1a

Deflectin 1a is a polyketide.

CAS Number79495-61-7
PubChem CID146682039
IUPAC Name(6aS)-3,6a-dimethyl-9-octanoylfuro[2,3-h]isochromene-6,8-dione
Molecular FormulaC21H24O5
Molecular Weight356.4
XLogP3.2
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity793
SMILES
CCCCCCCC(=O)C1=C2C3=COC(=CC3=CC(=O)[C@]2(OC1=O)C)C
InChI
InChI=1S/C21H24O5/c1-4-5-6-7-8-9-16(22)18-19-15-12-25-13(2)10-14(15)11-17(23)21(19,3)26-20(18)24/h10-12H,4-9H2,1-3H3/t21-/m1/s1
InChIKey
YNVKQPJBOAUYIJ-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Deflectin 1a
CAS: 79495-61-7
CID: 146682039
Formula: C21H24O5
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass356.16237386
Monoisotopic Mass356.16237386
Topological Polar Surface Area69.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity793
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N14785Deflectin 1a

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