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Goniodiol 8-acetate

CAT: 0804-HY-N3966Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N3966Size:1 Each
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Description
Goniodiol 8-acetate is a styrylpyrones that can be isolated from the leaves of Goniothalamus amuyon. Goniodiol 8-acetate has cytotoxic activity[1].
CAS Number
144429-71-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/goniodiol-8-acetate.html
Solubility
10 mM in DMSO
Smiles
O[C@H]([C@@]1([H])OC(C=CC1)=O)[C@H](C2=CC=CC=C2)OC(C)=O
Molecular Formula
C15H16O5
Molecular Weight
276.28
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Wu, Y.-C., et al. Cytotoxic styrylpyrones of Goniothalamus amuyon. Phytochemistry, 31 (8), 2851–2853.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Goniodiol 8-acetate

(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate has been reported in Goniothalamus amuyon with data available.

CAS Number144429-71-0
PubChem CID10945698
IUPAC Name[(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] acetate
Molecular FormulaC15H16O5
Molecular Weight276.28
XLogP1.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity384
SMILES
CC(=O)O[C@H](C1=CC=CC=C1)[C@H]([C@H]2CC=CC(=O)O2)O
InChI
InChI=1S/C15H16O5/c1-10(16)19-15(11-6-3-2-4-7-11)14(18)12-8-5-9-13(17)20-12/h2-7,9,12,14-15,18H,8H2,1H3/t12-,14+,15-/m1/s1
InChIKey
VWWLVBSOTCIVHI-VHDGCEQUSA-N
Chemical Structure
2D Structure
2D structure of Goniodiol 8-acetate
CAS: 144429-71-0
CID: 10945698
Formula: C15H16O5
MW: 276.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.28
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass276.09977361
Monoisotopic Mass276.09977361
Topological Polar Surface Area72.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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