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shikonofuran A

CAT: 0607-N2003-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-N2003-10Size:10 mg
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CAS Number
85022-66-8
Product Name Alternative
(S)-1-(5-(2,5-dihydroxyphenyl)furan-3-yl)-4-methylpent-3-en-1-yl acetate
Field of Research
Natural Products
Purity
0.98
Smiles
C/C(C)=C\C[C@@](OC(C)=O)([H])C1=COC(C2=C(O)C=CC(O)=C2)=C1
Molecular Formula
C18H20O5
Molecular Weight
316.35
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

[1-[5-(2,5-Dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] acetate
CAS Number85022-66-8
PubChem CID5321286
IUPAC Name[1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] acetate
Molecular FormulaC18H20O5
Molecular Weight316.3
XLogP3.6
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity429
SMILES
CC(=CCC(C1=COC(=C1)C2=C(C=CC(=C2)O)O)OC(=O)C)C
InChI
InChI=1S/C18H20O5/c1-11(2)4-7-17(23-12(3)19)13-8-18(22-10-13)15-9-14(20)5-6-16(15)21/h4-6,8-10,17,20-21H,7H2,1-3H3
InChIKey
IMZVJDUASUPZQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[5-(2,5-Dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] acetate
CAS: 85022-66-8
CID: 5321286
Formula: C18H20O5
MW: 316.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass316.13107373
Monoisotopic Mass316.13107373
Topological Polar Surface Area79.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
KDA02266-01Shikonofuran A
A14676-10Shikonofuran A 10mg
A14676-5Shikonofuran A 5mg
A14676-25Shikonofuran A 25mg
A14676-10mM-DShikonofuran A 10mM * 1mL in DMSO

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