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β-Furoyleupatolide

CAT: 0804-HY-N9277Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9277Size:1 Each
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Description
β-Furoyleupatolide (Compound 2) is a compound that can be isolated from Helogyne apaloidea[1].
CAS Number
114437-24-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/β-furoyleupatolide.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=COC=C1)O[C@H](C/C(C)=C/CC2)[C@](C3=C)([H])[C@](/C=C2\C)([H])OC3=O
Molecular Formula
C20H22O5
Molecular Weight
342.39
References & Citations
[1]Zdero C, et al. Helogynic acid, a homoditerpene, and other constituents from Helogyne apaloidea[J]. Phytochemistry, 1988, 27 (2) : 616-621.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

beta-Furoyleupatolide
CAS Number114437-24-0
PubChem CID13994641
IUPAC Name[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] furan-3-carboxylate
Molecular FormulaC20H22O5
Molecular Weight342.4
XLogP3.2
Topological Polar Surface Area65.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity630
SMILES
C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)C3=COC=C3)C(=C)C(=O)O2
InChI
InChI=1S/C20H22O5/c1-12-5-4-6-13(2)10-17(25-20(22)15-7-8-23-11-15)18-14(3)19(21)24-16(18)9-12/h6-9,11,16-18H,3-5,10H2,1-2H3/b12-9+,13-6+/t16-,17-,18+/m1/s1
InChIKey
RCMIINPNTIVOIK-MQJDDFOESA-N
Chemical Structure
2D Structure
2D structure of beta-Furoyleupatolide
CAS: 114437-24-0
CID: 13994641
Formula: C20H22O5
MW: 342.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass342.14672380
Monoisotopic Mass342.14672380
Topological Polar Surface Area65.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN3503Beta-Furoyleupatolide

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