Products for Research Use Only
RegisterLogin

Scabertopin

CAT: 0013-GTR19155647-02Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19155647-02Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Scabertopin has a significant antitumor effect in vitro in a concentration-dependent manner. It is isolated from the whole plant of Elephantopus scaber.
CAS Number
185213-52-9
Purity
>98% (HPLC)
Solubility
DMSO:125 mg/mL (348.78 mM; Need ultrasonic)
Smiles
C/C=C (C) \C (O[C@@H] (CC1=C2) [C@]3 ([H]) [C@@] (OC (C3=C) =O) ([H]) /C=C (C) /C[C@]2 ([H]) OC1=O) =O
Molecular Formula
C20H22O6
Molecular Weight
358.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

CID 93959111
CAS Number185213-52-9
PubChem CID93959111
IUPAC Name[(3S,4R,8R,9Z,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC20H22O6
Molecular Weight358.4
XLogP2.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity769
SMILES
C/C=C(/C)\C(=O)O[C@H]1CC2=C[C@H](C/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC2=O
InChI
InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7-,11-5-/t14-,15+,16-,17-/m0/s1
InChIKey
FTPHYXGWMIZVMP-WQYRJXRXSA-N
Chemical Structure
2D Structure
2D structure of CID 93959111
CAS: 185213-52-9
CID: 93959111
Formula: C20H22O6
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass358.14163842
Monoisotopic Mass358.14163842
Topological Polar Surface Area78.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity769
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5764352Scabertopin

Popular Products