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PST2286

CAT: 0931-T20920-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T20920-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26629-41-4
Target
Others
Related Pathways
Others
Purity
0.9922
Bioactivity
PST2286 (17-Hydroxydigitoxigenin) is a rostafuroxin metabolite.
Smiles
O[C@@]12[C@@](C)([C@](O)(CC1)C=3COC(=O)C3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]
Molecular Formula
C23H34O5
Molecular Weight
390.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

17-Hydroxydigitoxigenin
CAS Number26629-41-4
PubChem CID70075738
IUPAC Name3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular FormulaC23H34O5
Molecular Weight390.5
XLogP1.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity733
SMILES
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(C5=CC(=O)OC5)O)O)C)O
InChI
InChI=1S/C23H34O5/c1-20-7-5-16(24)11-14(20)3-4-18-17(20)6-8-21(2)22(26,9-10-23(18,21)27)15-12-19(25)28-13-15/h12,14,16-18,24,26-27H,3-11,13H2,1-2H3/t14-,16+,17+,18-,20+,21-,22+,23+/m1/s1
InChIKey
PBAPWFMQSGITBY-IKVCRZIASA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxydigitoxigenin
CAS: 26629-41-4
CID: 70075738
Formula: C23H34O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass390.24062418
Monoisotopic Mass390.24062418
Topological Polar Surface Area87 Ų
Heavy Atom Count28
Formal Charge0
Complexity733
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

Alternative Products

CatalogName
563920PST2286

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