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Aranochlor A

CAT: 0931-TN8999-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8999-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
208466-05-1
Target
Antifungal, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Aranochlor A is an antibiotic found in Pseudoarachniotus roseus (HIL Y-30499) and exhibits both antibacterial and antifungal properties.
Smiles
N(C(/C=C/C(=C/[C@@H](CCCCCC)C)/C)=O)[C@H]1C[C@@]2([C@@]3([C@@](O3)(C(=O)C(Cl)=C2)[H])[H])O[C@H]1O
Molecular Formula
C23H32ClNO5
Molecular Weight
437.957
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aranochlor A

Aranochlor A is a member of cyclohexenones.

CAS Number208466-05-1
PubChem CID10812895
IUPAC Name(2E,4E)-N-[(1S,2R,2'R,6R)-4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
Molecular FormulaC23H32ClNO5
Molecular Weight438.0
XLogP5
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity761
SMILES
CCCCCCC(C)/C=C(\C)/C=C/C(=O)NC1C[C@]2(C=C(C(=O)[C@H]3[C@@H]2O3)Cl)O[C@H]1O
InChI
InChI=1S/C23H32ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-22,28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14?,17?,20-,21-,22+,23-/m0/s1
InChIKey
JXZMSDXQKQMWKD-UYTIHBCGSA-N
Chemical Structure
2D Structure
2D structure of Aranochlor A
CAS: 208466-05-1
CID: 10812895
Formula: C23H32ClNO5
MW: 438.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.0
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass437.1969008
Monoisotopic Mass437.1969008
Topological Polar Surface Area88.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N13951Aranochlor A

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