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Cladosporide A

CAT: 0931-TN10202-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10202-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
310897-84-8
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Cladosporide A is found in the Cladosporium sp. IFM 49189 strain. It exhibits inhibitory activity against Aspergillus fumigatus, with an IC50 range of 0.5-4.0 μg/mL, but shows no effect on other filamentous fungi.
Smiles
C[C@]12C3=C([C@]4(C)[C@@](CC3)([C@](C=O)(C)[C@@H](O)CC4)[H])CC[C@]1(C)[C@@]([C@@H](CO)C)(CC2)[H]
Molecular Formula
C25H40O3
Molecular Weight
388.583
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cladosporide A

Cladosporide A is a triterpenoid.

CAS Number310897-84-8
PubChem CID10524353
IUPAC Name(3S,4R,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S)-1-hydroxypropan-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
Molecular FormulaC25H40O3
Molecular Weight388.6
XLogP4.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity698
SMILES
C[C@H](CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)C=O)O)C)C)C
InChI
InChI=1S/C25H40O3/c1-16(14-26)17-8-12-25(5)19-6-7-20-22(2,18(19)9-13-24(17,25)4)11-10-21(28)23(20,3)15-27/h15-17,20-21,26,28H,6-14H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25+/m1/s1
InChIKey
IMFPTRFAGTZUCB-KGEWIPHDSA-N
Chemical Structure
2D Structure
2D structure of Cladosporide A
CAS: 310897-84-8
CID: 10524353
Formula: C25H40O3
MW: 388.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass388.29774513
Monoisotopic Mass388.29774513
Topological Polar Surface Area57.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity698
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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