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Isofuranodienone

CAT: 0804-HY-N12454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12454-01Size:1 mg
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Description
24268-42-6
CAS Number
24268-42-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/isofuranodienone.html
Solubility
10 mM in DMSO
Smiles
O=C1/C=C(C)\CC/C=C(C)\CC2=C1C(C)=CO2
Molecular Formula
C15H18O2
Molecular Weight
230.30
References & Citations
[1]Qu Y, et al.Sesquiterpenes from Curcuma comosa. J Nat Med. 2009 Jan;63 (1) :102-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isofuranodienone

(5Z,9E)-furanodienone has been reported in Curcuma xanthorrhiza, Commiphora kataf, and other organisms with data available.

CAS Number24268-42-6
PubChem CID5317425
IUPAC Name(5Z,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
Molecular FormulaC15H18O2
Molecular Weight230.30
XLogP2.9
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity365
SMILES
C/C/1=C/C(=O)C2=C(C/C(=C/CC1)/C)OC=C2C
InChI
InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6+
InChIKey
XVOHELPNOXGRBQ-IKVLVDHLSA-N
Chemical Structure
2D Structure
2D structure of Isofuranodienone
CAS: 24268-42-6
CID: 5317425
Formula: C15H18O2
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass230.130679813
Monoisotopic Mass230.130679813
Topological Polar Surface Area30.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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