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Cladosporide C

CAT: 0804-HY-N14123Size: 1 EachDry Ice: NoHazardous: No
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Description
Cladosporide C is found in the strain of Cladosporium sp. IFM 49190. Cladosporide C has no antifungal activity[1].
CAS Number
376368-82-0
UNSPSC
12352005
Target
Fungal
Related Pathways
Anti-infection
Field of Research
Others
Smiles
C[C@]12C3=C(CC[C@@]1([C@@](CC2)([H])[C@H](C)CO)C)[C@@]4([C@@]([C@](C)([C@@H](CC4)O)C=O)([H])CC3)C
Molecular Formula
C25H40O3
Molecular Weight
388.58
References & Citations
[1]T Hosoe, et al. New pentanorlanostane derivatives, cladosporide B-D, as characteristic antifungal agents against Aspergillus fumigatus, isolated from Cladosporium sp. J Antibiot (Tokyo) . 2001 Sep;54 (9) :747-50.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cladosporide C

Cladosporide C is a triterpenoid.

CAS Number376368-82-0
PubChem CID11111888
IUPAC Name(3R,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-IJBRNTSBSA-N
Chemical Structure
2D Structure
2D structure of Cladosporide C
CAS: 376368-82-0
CID: 11111888
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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