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Chainin

CAT: 0931-TN10658-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10658-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38264-25-4
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Chainin exhibits antifungal properties against yeast and Aspergillus niger.
Smiles
CCCC[C@H]1[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CC(CC(/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@@H](OC1=O)C)O)/C)O)O)O)O)O)O)O
Molecular Formula
C33H54O10
Molecular Weight
610.776
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chainin

Chainin is a macrolide.

CAS Number38264-25-4
PubChem CID11585278
IUPAC Name(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-butyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular FormulaC33H54O10
Molecular Weight610.8
XLogP2.9
Topological Polar Surface Area188
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity927
SMILES
CCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O
InChI
InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,22-13+/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1
InChIKey
QAPUWNJNUGPVPM-ODCCBLIFSA-N
Chemical Structure
2D Structure
2D structure of Chainin
CAS: 38264-25-4
CID: 11585278
Formula: C33H54O10
MW: 610.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.8
XLogP32.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass610.37169792
Monoisotopic Mass610.37169792
Topological Polar Surface Area188 Ų
Heavy Atom Count43
Formal Charge0
Complexity927
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N15056Chainin

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