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17β-Tanghinigenin

CAT: 0013-GTR19217091-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217091-01Size:5 mg
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Description
17β-Tanghinigenin is a thevetia-derived cardiac glycoside compound, specifically characterized as a glucos-3-ulosyl-thevetoside. It serves as a research tool for studying cardiac glycoside mechanisms, particularly in in vitro assays investigating Na+/K+-ATPase inhibition and related cardiovascular effects.
CAS Number
114612-75-8
Smiles
O=C1OCC (=C1) C2CCC3 (O) C45OC5CC6CC (OC7OC (C) C (OC8OC (CO) C (O) C (O) C8O) C (OC) C7O) CCC6 (C) C4CCC23C
Molecular Formula
C36H54O14
Molecular Weight
710.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

17|A-Tanghinigenin
CAS Number114612-75-8
PubChem CID169450681
IUPAC Name3-[(3R,5S,7S,10S,11R,14R,15S)-18-hydroxy-7-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2R,3R,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Molecular FormulaC36H54O14
Molecular Weight710.8
XLogP-0.1
Topological Polar Surface Area206
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1360
SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](CCC5(C46[C@H](O6)C[C@@H]3C2)O)C7=CC(=O)OC7)C)C)O)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)O)O)O)CO
InChI
InChI=1S/C36H54O14/c1-16-28(48-31-20(14-37)25(39)26(40)30(42)49-31)29(44-4)27(41)32(46-16)47-19-5-8-33(2)18(12-19)13-23-36(50-23)22(33)7-9-34(3)21(6-10-35(34,36)43)17-11-24(38)45-15-17/h11,16,18-23,25-32,37,39-43H,5-10,12-15H2,1-4H3/t16-,18-,19-,20+,21-,22+,23+,25+,26-,27-,28-,29-,30-,31+,32-,33-,34+,35?,36?/m0/s1
InChIKey
ZMYSKDHWILCNOA-OBTQJJCBSA-N
Chemical Structure
2D Structure
2D structure of 17|A-Tanghinigenin
CAS: 114612-75-8
CID: 169450681
Formula: C36H54O14
MW: 710.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight710.8
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass710.35135639
Monoisotopic Mass710.35135639
Topological Polar Surface Area206 Ų
Heavy Atom Count50
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T83438-0117β-Tanghinigenin
MBS582508717beta-Tanghinigenin
MBS393792-01Heptadecanoic-17,17,17-D3 Acid
138536-AFCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17)
138536-AF-FITCCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (FITC)
138536-AF-APCCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (APC)
MBS6122211-01Cytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (HRP)
MBS6122207-01Cytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (AP)
138536-AF-PECytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (PE)
138536-AF-BiotinCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (Biotin)

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