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19-Hydroxybufalin

CAT: 0013-GTR19155197-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155197-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
19-Hydroxybufalin is a natural product, inhibits epithelial-mesenchymal transition and attenuates the migration and invasion of PC3 cells.
CAS Number
39844-86-5
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (248.43 mM; Need ultrasonic)
Smiles
C[C@@] (CC[C@@H] ([C@H]1CC2) [C@@] (CO) (CC3) [C@H]2C[C@H]3O) ([C@H] (CC2) C (C=C3) =COC3=O) [C@@]12O
Molecular Formula
C24H34O5
Molecular Weight
402.52
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

19-Hydroxybufalin

19-Hydroxybufalin has been reported in Duttaphrynus melanostictus with data available.

CAS Number39844-86-5
PubChem CID101375811
IUPAC Name5-[(3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular FormulaC24H34O5
Molecular Weight402.5
XLogP2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity758
SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@H]5[C@@]3(CC[C@@H](C5)O)CO
InChI
InChI=1S/C24H34O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13,16-20,25-26,28H,3-4,6-12,14H2,1H3/t16-,17+,18-,19+,20-,22-,23-,24+/m1/s1
InChIKey
AXTYMYOHGWVSQN-KLAFWMLLSA-N
Chemical Structure
2D Structure
2D structure of 19-Hydroxybufalin
CAS: 39844-86-5
CID: 101375811
Formula: C24H34O5
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass402.24062418
Monoisotopic Mass402.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count29
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N7019-0119-Hydroxybufalin
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HY-N86951β-Hydroxybufalin
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ARC0416KU-19-19
138560-AFKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19)
138560-AF-FITCKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (FITC)
138560-AF-BiotinKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (Biotin)
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