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Polyphyllin H

CAT: 0804-HY-N2382-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-N2382-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Polyphyllin H has been widely used in traditional Chinese medicinal preparations to treat inflammation, fracture and convulsion[1].
CAS Number
81917-50-2
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/polyphyllin-h.html
Concentration
10mM
Purity
99.89
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O[C@@]([C@](O[C@]1(OC2)CC[C@H]2C)([H])C[C@@]3([H])[C@@](CC=C(C4)[C@@]5(CC[C@@H]4O[C@H](O[C@@H]6CO)[C@@H]([C@H]([C@@H]6O[C@@H]([C@@H]([C@H]7O)O)O[C@H]7CO)O)O[C@H](O[C@H]8C)[C@@H]([C@@H]([C@H]8O)O)O)C)([H])[C@]5([H])CC9)([C@@H]1C)[C@]39C
Molecular Formula
C44H70O17
Molecular Weight
871.02
References & Citations
[1]Xingbin Yin, et al. Analysis and Pharmacokinetic Study of Polyphyllin H in Beagle Dog Plasma After Oral Administration of Rhizoma Paridis Extracts by LC-MS/MS. Biomed Chromatogr. 2014 Dec;28 (12) :1869-73.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Polyphyllin H

Polyphyllin H has been reported in Paris polyphylla var. chinensis, Paris mairei, and Paris polyphylla with data available.

CAS Number81917-50-2
PubChem CID101615586
IUPAC Name(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular FormulaC44H70O17
Molecular Weight871.0
XLogP0.2
Topological Polar Surface Area256
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count61
Formal Charge0
Complexity1620
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O)C)OC1
InChI
InChI=1S/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-/m1/s1
InChIKey
DEUSODBYLVUUQI-CRUCUECZSA-N
Chemical Structure
2D Structure
2D structure of Polyphyllin H
CAS: 81917-50-2
CID: 101615586
Formula: C44H70O17
MW: 871.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight871.0
XLogP30.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass870.46130076
Monoisotopic Mass870.46130076
Topological Polar Surface Area256 Ų
Heavy Atom Count61
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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