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Cedarmycin B

CAT: 0931-TN10276-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10276-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
363624-70-8
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
Cedarmycin B exhibits activity against Candida, Cryptococcus neoformans, and Aspergillus fumigatus, with a minimum inhibitory concentration (MIC) ranging from 12.5 to 50 μg/mL.
Smiles
C(OC(CCCCC)=O)[C@@H]1C(=C)C(=O)OC1
Molecular Formula
C12H18O4
Molecular Weight
226.269
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(3S)-4-methylidene-5-oxooxolan-3-yl]methyl hexanoate

Cedarmycin B is a fatty acid ester.

CAS Number363624-70-8
PubChem CID132989926
IUPAC Name[(3S)-4-methylidene-5-oxooxolan-3-yl]methyl hexanoate
Molecular FormulaC12H18O4
Molecular Weight226.27
XLogP2.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity283
SMILES
CCCCCC(=O)OC[C@H]1COC(=O)C1=C
InChI
InChI=1S/C12H18O4/c1-3-4-5-6-11(13)15-7-10-8-16-12(14)9(10)2/h10H,2-8H2,1H3/t10-/m0/s1
InChIKey
ZUGWRISHBCSTOJ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of [(3S)-4-methylidene-5-oxooxolan-3-yl]methyl hexanoate
CAS: 363624-70-8
CID: 132989926
Formula: C12H18O4
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass226.12050905
Monoisotopic Mass226.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity283
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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