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Botryodiplodin

CAT: 0013-GTR19225212-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225212-01Size:100 mg
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Description
Botryodiplodin is a toxic fungal metabolite with reported antileukemic activity. It is studied in oncology research for its cytotoxic properties, and in vivo application can induce skin pink discoloration within hours.
CAS Number
27098-03-9
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
C[C@H]1C (O) OC[C@H]1C (C) =O
Molecular Formula
C7H12O3
Molecular Weight
144.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Botryodiplodin

Botryodiplodin is a member of oxolanes.

CAS Number27098-03-9
PubChem CID33701
IUPAC Name1-(5-hydroxy-4-methyloxolan-3-yl)ethanone
Molecular FormulaC7H12O3
Molecular Weight144.17
XLogP-0.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity144
SMILES
CC1C(COC1O)C(=O)C
InChI
InChI=1S/C7H12O3/c1-4-6(5(2)8)3-10-7(4)9/h4,6-7,9H,3H2,1-2H3
InChIKey
CLYSZQBIUYRLNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Botryodiplodin
CAS: 27098-03-9
CID: 33701
Formula: C7H12O3
MW: 144.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.17
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass144.078644241
Monoisotopic Mass144.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5774905Botryodiplodin

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