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Spiradine F

CAT: 0804-HY-N1208Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N1208Size:1 Each
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Description
Spiradine F is a main alkaloidal component of spiraea japonioa L. fil. Spiradine F derivative can inhibit platelet-activating factor (PAF) -induced platelet aggregation[1][2].
CAS Number
21040-64-2
Product Name Alternative
O-Acetylspiradine G; Spiradine G acetate
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/spiradine-f.html
Solubility
10 mM in DMSO
Smiles
[H][C@@]12N(CCO2)[C@@]3([H])[C@]([C@@](C[C@@]4([H])C(C5)=C)([H])[C@]5(CC4)[C@]6([H])O3)([C@@H]7[C@@H]6OC(C)=O)CCCC17C
Molecular Formula
C24H33NO4
Molecular Weight
399.52
References & Citations
[1]Masaaki Toda, et al. The structures of spiradines F and G from spiraea japonioa L. fil. Tetrahedron Letters. Volume 9, Issue 53, 1968. 5565-5568. |[2]Ling Li, et al. Antiplatelet aggregation activity of diterpene alkaloids from Spiraea japonica. European Journal of Pharmacology. Volume 449, Issues 1-2. 2002. 23-28.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Spiradine F

Spiradine F has been reported in Spiraea japonica with data available.

CAS Number21040-64-2
PubChem CID91895271
IUPAC Name[(1S,2R,5S,7R,8R,12R,13S,20S,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
Molecular FormulaC24H33NO4
Molecular Weight399.5
XLogP3.6
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity813
SMILES
CC(=O)O[C@H]1[C@@H]2[C@]3(CCC[C@@]24[C@@H]5C[C@@H]6CC[C@@]5([C@@H]1OC4N7[C@H]3OCC7)CC6=C)C
InChI
InChI=1S/C24H33NO4/c1-13-12-23-8-5-15(13)11-16(23)24-7-4-6-22(3)18(24)17(28-14(2)26)19(23)29-21(24)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19+,20-,21?,22+,23+,24+/m0/s1
InChIKey
HSZMQRORNAEJTB-YBUCERMMSA-N
Chemical Structure
2D Structure
2D structure of Spiradine F
CAS: 21040-64-2
CID: 91895271
Formula: C24H33NO4
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass399.24095853
Monoisotopic Mass399.24095853
Topological Polar Surface Area48 Ų
Heavy Atom Count29
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
WAA04064-01Spiradine F

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