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Ciwujiatone

CAT: 0804-HY-N7331Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N7331Size:1 Each
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Description
Ciwujiatone is a natural lignan compound[1].
CAS Number
218901-26-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ciwujiatone.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(OC)=C(O)C(OC)=C1)C2COC(C3=CC(OC)=C(O)C(OC)=C3)C2CO
Molecular Formula
C22H26O9
Molecular Weight
434.44
References & Citations
[1]Guo-Kai Wang, et al. A new sesquiterpene from Kalimeris integrifolia. Nat Prod Res. 2018 May;32 (9) :1004-1009.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

CID 73981549
CAS Number218901-26-9
PubChem CID73981549
IUPAC Name(4-hydroxy-3,5-dimethoxyphenyl)-[5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanone
Molecular FormulaC22H26O9
Molecular Weight434.4
XLogP1.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity559
SMILES
COC1=CC(=CC(=C1O)OC)C2C(C(CO2)C(=O)C3=CC(=C(C(=C3)OC)O)OC)CO
InChI
InChI=1S/C22H26O9/c1-27-15-5-11(6-16(28-2)20(15)25)19(24)14-10-31-22(13(14)9-23)12-7-17(29-3)21(26)18(8-12)30-4/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3
InChIKey
ANCVHDRNDJRUOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 73981549
CAS: 218901-26-9
CID: 73981549
Formula: C22H26O9
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass434.15768240
Monoisotopic Mass434.15768240
Topological Polar Surface Area124 Ų
Heavy Atom Count31
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5787540Ciwujiatone

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