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Guignardone J

CAT: 0013-GTR19220377-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220377-02Size:50 mg
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Description
Guignardone J is a secondary metabolite produced by the endophytic fungus Phyllosticta capitalensis. This compound is of research interest for its potential bioactivity and serves as a tool for in vitro studies in natural product chemistry and mycological research.
CAS Number
1825374-57-9
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@@] (CC3=C (O1) [C@@H] (O) C[C@] (CO) (O) C3=O) ([C@H] (C (C) =C) CC2) [H]
Molecular Formula
C17H24O5
Molecular Weight
308.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Guignardone J

Guignardone J is a member of cyclohexenones.

CAS Number1825374-57-9
PubChem CID127037621
IUPAC Name(1R,3aR,5S,7R,9aS)-5,7-dihydroxy-7-(hydroxymethyl)-3a-methyl-1-prop-1-en-2-yl-2,3,5,6,9,9a-hexahydro-1H-cyclopenta[b]chromen-8-one
Molecular FormulaC17H24O5
Molecular Weight308.4
XLogP1.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity565
SMILES
CC(=C)[C@@H]1CC[C@@]2([C@H]1CC3=C(O2)[C@H](C[C@](C3=O)(CO)O)O)C
InChI
InChI=1S/C17H24O5/c1-9(2)10-4-5-16(3)12(10)6-11-14(22-16)13(19)7-17(21,8-18)15(11)20/h10,12-13,18-19,21H,1,4-8H2,2-3H3/t10-,12-,13-,16+,17+/m0/s1
InChIKey
NDRMXJQIHGDADJ-AWKHGQQRSA-N
Chemical Structure
2D Structure
2D structure of Guignardone J
CAS: 1825374-57-9
CID: 127037621
Formula: C17H24O5
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass308.16237386
Monoisotopic Mass308.16237386
Topological Polar Surface Area87 Ų
Heavy Atom Count22
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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