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Valepotriate

CAT: 0013-GTR19169289-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169289-02Size:5 mg
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Description
Valepotriates, such as Valtrate, are cytotoxic compounds studied for their antitumor activity against hepatoma cells in vitro. Research also indicates these small molecules possess sedative properties and may modulate recognition memory and anxiety-related behaviors in experimental models.
CAS Number
18296-44-1
Product Name Alternative
Cancer, Apoptosis, anti-epileptic, Inhibitor, inhibit, GABAA, HIV, HIVProtease, HIV Protease, sleep, Valepotriate, Valtrate
Field of Research
Cell Biology, Infectious Disease & Virology, Protein Biochemistry
Purity
97.29% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.73 mM) ; DMSO:10 mM
Smiles
[H][C@]12[C@H] (OC (=O) CC (C) C) OC=C (COC (C) =O) C1=C[C@H] (OC (=O) CC (C) C) [C@]21CO1
Molecular Formula
C22H30O8
Molecular Weight
422.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Valtrate

Valtratum is a fatty acid ester.

CAS Number18296-44-1
PubChem CID442436
IUPAC Name[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Molecular FormulaC22H30O8
Molecular Weight422.5
XLogP1.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity765
SMILES
CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@@]13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
InChI
InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChIKey
BDIAUFOIMFAIPU-KVJIRVJXSA-N
Chemical Structure
2D Structure
2D structure of Valtrate
CAS: 18296-44-1
CID: 442436
Formula: C22H30O8
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass422.19406791
Monoisotopic Mass422.19406791
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
301095Valepotriate
HY-N0718RValepotriate (Standard)

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