Products for Research Use Only
RegisterLogin

Ferulenol

CAT: 0498-bs-75016C-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0498-bs-75016C-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6805-34-1
Conjugation
Unconjugated
Purity
>97% (HPLC)
Buffer
Solid
Solubility
Soluble in 100% ethanol, methanol or DMSO.
Smiles
OC(C1=CC=CC=C1O2)=C(C/C=C(C)/CC/C=C(C)/CC/C=C(C)/C)C2=O
Molecular Formula
C24H30O3
Molecular Weight
366.5
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

Ferulenol

4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]chromen-2-one has been reported in Ferula communis with data available.

CAS Number6805-34-1
PubChem CID54679300
IUPAC Name4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
Molecular FormulaC24H30O3
Molecular Weight366.5
XLogP6.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity645
SMILES
CC(=CCC/C(=C/CC/C(=C/CC1=C(C2=CC=CC=C2OC1=O)O)/C)/C)C
InChI
InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
InChIKey
NJJDBBUWWOAOLD-CFBAGHHKSA-N
Chemical Structure
2D Structure
2D structure of Ferulenol
CAS: 6805-34-1
CID: 54679300
Formula: C24H30O3
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass366.21949481
Monoisotopic Mass366.21949481
Topological Polar Surface Area46.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity645
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

Alternative Products

CatalogName
ADC-P-090Ferulenol
MBS6117836-01Ferulenol (2-Hydroxy-3-chromen-4-one)

Popular Products