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Celaphanol A

CAT: 0804-HY-N3563-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3563-02Size:5 mg
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Description
Celaphanol A is a diterpene that can be isolated from the root bark of Celastrus orbiculatus. Celaphanol A shows neuroprotective effect against a hydrogen peroxide-induced cytotoxicity in PC12 cells[1].
CAS Number
244204-40-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/celaphanol-a.html
Solubility
10 mM in DMSO
Smiles
C[C@]12C(C(C)(CCC2)C)=C(C(C3=CC(O)=C(O)C=C13)=O)O
Molecular Formula
C17H20O4
Molecular Weight
288.34
References & Citations
[1]Wang LY, et al. (M) - and (P) -bicelaphanol A, dimeric trinorditerpenes with promising neuroprotective activity from Celastrus orbiculatus. J Nat Prod. 2013 Apr 26;76 (4) :745-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Celaphanol A

celaphanol A has been reported in Celastrus stephanotiifolius and Celastrus orbiculatus with data available.

CAS Number244204-40-8
PubChem CID10016968
IUPAC Name(4aR)-6,7,10-trihydroxy-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
Molecular FormulaC17H20O4
Molecular Weight288.34
XLogP3.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity507
SMILES
C[C@]12CCCC(C1=C(C(=O)C3=CC(=C(C=C23)O)O)O)(C)C
InChI
InChI=1S/C17H20O4/c1-16(2)5-4-6-17(3)10-8-12(19)11(18)7-9(10)13(20)14(21)15(16)17/h7-8,18-19,21H,4-6H2,1-3H3/t17-/m1/s1
InChIKey
MLGLJFWISHCOAE-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Celaphanol A
CAS: 244204-40-8
CID: 10016968
Formula: C17H20O4
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass288.13615911
Monoisotopic Mass288.13615911
Topological Polar Surface Area77.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19181883Celaphanol A

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