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Prehelminthosporolactone

CAT: 0931-TN4823Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4823Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
118101-72-7
Target
Others
Related Pathways
Others
Bioactivity
Prehelminthosporolactone is a phytotoxin.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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