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Arizonin A1

CAT: 0931-T30132-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30132-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108890-87-5
Target
Others, Antibacterial, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
Arizonin A1 is a biochemical.
Smiles
O=C1C2=C(C(=O)C=3C1=CC=C(O)C3OC)[C@@H](C)O[C@]4([C@@]2(OC(=O)C4)[H])[H]
Molecular Formula
C17H14O7
Molecular Weight
330.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arizonin A1

Arizonin A1 is a benzoisochromanequinone.

CAS Number108890-87-5
PubChem CID73074205
IUPAC Name5-hydroxy-4-methoxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP0.4
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity651
SMILES
CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=C(C=C4)O)OC
InChI
InChI=1S/C17H14O7/c1-6-11-13(17-9(23-6)5-10(19)24-17)14(20)7-3-4-8(18)16(22-2)12(7)15(11)21/h3-4,6,9,17-18H,5H2,1-2H3
InChIKey
VQAHDQIOJTXEAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arizonin A1
CAS: 108890-87-5
CID: 73074205
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area99.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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