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Falcarinolone

CAT: 0804-HY-N12952Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12952Size:1 Each
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Description
Falcarinolone is a polyacetylene, which is initially isolated from Aegopodium podagraria L[1].
CAS Number
18089-23-1
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/falcarinolone.html
Smiles
CCCCCCC/C=C\C(O)C#CC#CC(C=C)=O
Molecular Formula
C17H22O2
Molecular Weight
258.36
References & Citations
[1]Schulte KE, et al., Polyacetylene aus Aegopodium podagraria L [Polyacetylene compounds from Aegopodium podagraria L. (author's transl) ]. Arch Pharm (Weinheim) . 1977 Apr;26 (4) :285-98. German.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Falcarinolone

Falcarinolone is an aliphatic alcohol.

CAS Number18089-23-1
PubChem CID6442185
IUPAC Name(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
Molecular FormulaC17H22O2
Molecular Weight258.35
XLogP4.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity431
SMILES
CCCCCCC/C=C\C(C#CC#CC(=O)C=C)O
InChI
InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10-
InChIKey
STNWZOBISHHDCD-UVTDQMKNSA-N
Chemical Structure
2D Structure
2D structure of Falcarinolone
CAS: 18089-23-1
CID: 6442185
Formula: C17H22O2
MW: 258.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass258.161979940
Monoisotopic Mass258.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN7843-01Falcarinolone

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