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Wedelialactone A

CAT: 0804-HY-N7336Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N7336Size:1 Each
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Description
Wedelialactone A is a Sesquiterpenoids product that can be isolated from the herbs of Wedelia trilobata[1].
CAS Number
175862-40-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/wedelialactone-a.html
Smiles
C[C@]12[C@@]([C@](O)(CC[C@H]2O)C)([H])[C@@H]([C@]3([H])[C@](OC(C3=C)=O)([H])[C@H]1OC(/C(C)=C/C)=O)OC(C(C)C)=O
Molecular Formula
C24H34O8
Molecular Weight
450.52
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Wedelialactone A
CAS Number175862-40-5
PubChem CID10321521
IUPAC Name[(3aR,4R,4aS,5R,8R,8aR,9S,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-9-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC24H34O8
Molecular Weight450.5
XLogP2.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity860
SMILES
C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@@H]([C@H]([C@@H]3[C@@]1([C@@H](CC[C@@]3(C)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChI
InChI=1S/C24H34O8/c1-8-12(4)21(27)32-19-17-15(13(5)22(28)31-17)16(30-20(26)11(2)3)18-23(6,29)10-9-14(25)24(18,19)7/h8,11,14-19,25,29H,5,9-10H2,1-4,6-7H3/b12-8+/t14-,15-,16-,17-,18+,19-,23-,24+/m1/s1
InChIKey
RDXQYZATVQTRST-VJTLMBDDSA-N
Chemical Structure
2D Structure
2D structure of Wedelialactone A
CAS: 175862-40-5
CID: 10321521
Formula: C24H34O8
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass450.22536804
Monoisotopic Mass450.22536804
Topological Polar Surface Area119 Ų
Heavy Atom Count32
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N0551-01Wedelolactone
HY-N0551R-01Wedelolactone (Standard)

Alternative Products

CatalogName
AHA86240-01Wedelialactone A

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