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Ratjadon

CAT: 0931-T26042-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26042-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163564-92-9
Target
Antifungal, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
Ratjadon is an antifungal compound isolated from Sorangium cellulosum.
Smiles
[C@H](/C=C/C=C(/C[C@H](/C=C(\C=C\[C@@H]1OC(=O)C=CC1)/C)C)\C)(O)[C@]2(O[C@@H](/C=C/C)[C@@H](C)[C@H](O)C2)[H]
Molecular Formula
C28H40O5
Molecular Weight
456.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ratjadon

Ratjadon has been reported in Sorangium cellulosum with data available.

CAS Number163564-92-9
PubChem CID6444320
IUPAC Name(2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-hydroxy-11-[(2S,4R,5S,6S)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
Molecular FormulaC28H40O5
Molecular Weight456.6
XLogP5.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity816
SMILES
C/C=C/[C@H]1[C@H]([C@@H](C[C@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@H]2CC=CC(=O)O2)O)O)C
InChI
InChI=1S/C28H40O5/c1-6-9-26-22(5)25(30)18-27(33-26)24(29)12-7-10-19(2)16-21(4)17-20(3)14-15-23-11-8-13-28(31)32-23/h6-10,12-15,17,21-27,29-30H,11,16,18H2,1-5H3/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27+/m1/s1
InChIKey
CAYGMWMWJUFODP-AYFTZVAISA-N
Chemical Structure
2D Structure
2D structure of Ratjadon
CAS: 163564-92-9
CID: 6444320
Formula: C28H40O5
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass456.28757437
Monoisotopic Mass456.28757437
Topological Polar Surface Area76 Ų
Heavy Atom Count33
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19198668-01Ratjadon

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