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Prehelminthosporolactone

CAT: 0013-GTR19180771Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180771Size:5 mg
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Description
Prehelminthosporolactone is a natural phytotoxin produced by the fungus Bipolaris sorokiniana. It serves as a valuable research tool for studying plant-pathogen interactions and investigating mechanisms of fungal virulence in both in vitro and in planta experimental systems.
CAS Number
118101-72-7
Smiles
CC (C) [C@H]1CC[C@]2 (C) [C@H]3COC (=O) [C@H] (C13) C2=C
Molecular Formula
C15H22O2
Molecular Weight
234.339
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prehelminthosporolactone

Prehelminthosporolactone has been reported in Bipolaris and Bipolaris sorokiniana with data available.

CAS Number118101-72-7
PubChem CID14165716
IUPAC Name(1R,3R,7S,8S,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-4-one
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity384
SMILES
CC(C)[C@H]1CC[C@@]2([C@@H]3[C@H]1[C@H](C2=C)C(=O)OC3)C
InChI
InChI=1S/C15H22O2/c1-8(2)10-5-6-15(4)9(3)12-13(10)11(15)7-17-14(12)16/h8,10-13H,3,5-7H2,1-2,4H3/t10-,11+,12+,13+,15+/m1/s1
InChIKey
YRJUYCPYOZTNDX-MCZMQQNQSA-N
Chemical Structure
2D Structure
2D structure of Prehelminthosporolactone
CAS: 118101-72-7
CID: 14165716
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity384
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

Alternative Products

CatalogName
MBS5762978Prehelminthosporolactone

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