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Rostafuroxin (PST 2238)

CAT: 0607-B5894-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5894-10Size:10 mg
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Description
Na+/K+ ATPase modulator
CAS Number
156722-18-8
Product Name Alternative
(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol
Field of Research
Membrane Transporter Ion Channel Sodium Channel
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥12.05 mg/mL in DMSO
Smiles
C[C@]12CC[C@@](O)([H])C[C@@]1([H])CC[C@]3([H])[C@]2([H])CC[C@@]4([C@](C5=COC=C5)(O)CC[C@]34O)C
Molecular Formula
C23H34O4
Molecular Weight
374.51
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Rostafuroxin

Rostafuroxin has been used in trials studying the treatment of Essential Hypertension.

CAS Number156722-18-8
PubChem CID153976
IUPAC Name(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol
Molecular FormulaC23H34O4
Molecular Weight374.5
XLogP3.3
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity609
SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(C5=COC=C5)O)O)C)O
InChI
InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1
InChIKey
AEAPORIZZWBIEX-DTBDINHYSA-N
Chemical Structure
2D Structure
2D structure of Rostafuroxin
CAS: 156722-18-8
CID: 153976
Formula: C23H34O4
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass374.24570956
Monoisotopic Mass374.24570956
Topological Polar Surface Area73.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity609
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