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Arizonin B2

CAT: 0013-GTR19248436-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248436-02Size:10 mg
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Description
Arizonin B2 is a natural microbial metabolite exhibiting potent antibacterial activity against Gram-positive pathogens. It serves as a valuable research tool for in vitro studies of antibiotic mechanisms and the exploration of novel anti-infective agents in microbiology and pharmacology.
CAS Number
108905-76-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1C2=C (C (=O) C=3C1=CC=C (OC) C3O) [C@@H] (C) O[C@H] (CC (OC) =O) [C@@H]2O
Molecular Formula
C18H18O8
Molecular Weight
362.331
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl 2-[(1R,3R,4R)-4,9-dihydroxy-8-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CAS Number108905-76-6
PubChem CID176455370
IUPAC Namemethyl 2-[(1R,3R,4R)-4,9-dihydroxy-8-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
Molecular FormulaC18H18O8
Molecular Weight362.3
XLogP0.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity654
SMILES
C[C@@H]1C2=C([C@H]([C@H](O1)CC(=O)OC)O)C(=O)C3=C(C2=O)C(=C(C=C3)OC)O
InChI
InChI=1S/C18H18O8/c1-7-12-14(17(22)10(26-7)6-11(19)25-3)15(20)8-4-5-9(24-2)16(21)13(8)18(12)23/h4-5,7,10,17,21-22H,6H2,1-3H3/t7-,10-,17+/m1/s1
InChIKey
BXXYVWXQBYKSHI-BWHBHDLDSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-[(1R,3R,4R)-4,9-dihydroxy-8-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CAS: 108905-76-6
CID: 176455370
Formula: C18H18O8
MW: 362.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.3
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass362.10016753
Monoisotopic Mass362.10016753
Topological Polar Surface Area119 Ų
Heavy Atom Count26
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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