Protopanaxatriol

CAT: 0013-GTR19170650-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19170650-07Size:100 mg

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Description

Protopanaxatriol (20 (R) -APPT), a key component of ginseng, functions as a novel PPARγ antagonist. This small molecule is a valuable research tool for studying metabolic and inflammatory pathways in both cellular and animal models, based on its characterized biological activity.

CAS Number

1453-93-6

Product Name Alternative

Inhibit, Inhibitor, 20 (R) -APPT, 20 (R) -Protopanaxatriol, 20APPT, 20Protopanaxatriol, (20R) -Protopanaxatriol, PPARγ, Protopanaxatriol

Field of Research

Metabolism Research, Molecular Biology

Purity

99.89% (May vary between batches)

Solubility

DMSO:10 mg/mL (20.98 mM)

Smiles

C[C@]12[C@@]3 (C) [C@@] ([C@@] ([C@] (CCC=C (C) C) (C) O) (CC3) [H]) ([C@H] (O) C[C@@]1 ([C@]4 (C) [C@@] ([C@@H] (O) C2) (C (C) (C) [C@@H] (O) CC4) [H]) [H]) [H]

Molecular Formula

C30H52O4

Molecular Weight

476.73

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

20(R)-Protopanaxatriol

protopanaxatriol has been reported in Panax ginseng with data available.

CAS Number	1453-93-6
PubChem CID	9847853
IUPAC Name	(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Molecular Formula	C30H52O4
Molecular Weight	476.7
XLogP	5.9
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	817

SMILES

CC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C

InChI

InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1

InChIKey

SHCBCKBYTHZQGZ-DLHMIPLTSA-N

Chemical Structure

2D Structure

CAS: 1453-93-6

CID: 9847853

Formula: C30H52O4

MW: 476.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	476.7
XLogP3	5.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	476.38656014
Monoisotopic Mass	476.38656014
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	817
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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FP65637-01	Protopanaxatriol
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A14508-10	Protopanaxatriol 10mg
A14508-5	Protopanaxatriol 5mg
A14508-100	Protopanaxatriol 100mg
A14508-25	Protopanaxatriol 25mg

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