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Levistilide A

CAT: 0013-GTR19159296-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159296-04Size:1 g
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Description
Levistilide A is a P-gp modulator. It acts by overcoming P-glycoprotein-mediated drug resistance in human breast carcinoma cells.
CAS Number
88182-33-6
Product Name Alternative
Levistilide A | Levistilide-A
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (262.83 mM)
Smiles
CCCC=C1C2=C (C3C (CC2) C4CCC35C (=C4) C (=O) OC5=CCCC) C (=O) O1
Molecular Formula
C24H28O4
Molecular Weight
380.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(1Z,5S,5aS,8Z,10bS,10cS) -1,8-Dibutylidene-5,5a,6,7-tetrahydro-1H-5,10c-ethanonaphtho[1,2-c:7,8-c']difuran-3,10 (8H,10bH) -dione

Chemical Information

Levistolide A

(Z)-6,6',7,3'a-Diligustilide is a butenolide. It has a role as a metabolite.

CAS Number88182-33-6
PubChem CID70698035
IUPAC Name(1S,2S,6Z,10S,11S,16Z)-6,16-di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione
Molecular FormulaC24H28O4
Molecular Weight380.5
XLogP4.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity871
SMILES
CCC/C=C\1/C2=C([C@H]3[C@@H](CC2)[C@@H]4CC[C@@]3\5C(=C4)C(=O)O/C5=C\CCC)C(=O)O1
InChI
InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-/t14-,15+,21-,24+/m1/s1
InChIKey
UBBRXVRQZJSDAK-ZJHGLIIDSA-N
Chemical Structure
2D Structure
2D structure of Levistolide A
CAS: 88182-33-6
CID: 70698035
Formula: C24H28O4
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass380.19875937
Monoisotopic Mass380.19875937
Topological Polar Surface Area52.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity871
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

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MBS3609216-01Levistilide A
A14702-10Levistilide A 10mg
A14702-25Levistilide A 25mg
A14702-5Levistilide A 5mg
A14702-50Levistilide A 50mg
A14702-1Levistilide A 1mg
A14702-10mM-DLevistilide A 10mM * 1mL in DMSO

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