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20 (R) -Protopanaxatriol

CAT: 0804-HY-N0798-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0798-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
20 (R) -Protopanaxatriol is a natural aglycone of ginsenosides Re, Rf, Rg1, Rg2 and Rh.
CAS Number
1453-93-6
Product Name Alternative
20 (R) -APPT
UNSPSC
12352211
Hazard Statement
H302
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Protopanaxatriol.html
Purity
99.70
Solubility
DMSO : ≥ 32 mg/mL
Smiles
C[C@]([C@@](C[C@H]1O)([H])[C@]([C@]2([H])C3(C)C)(CC[C@@H]3O)C)(C[C@@H]2O)[C@@]([C@@]1([H])[C@@]4([H])[C@](C)(O)CC/C=C(C)\C)(CC4)C
Molecular Formula
C30H52O4
Molecular Weight
476.73
Precautions
H302
References & Citations
[1]Bai L, et al. Therapeutic Potential of Ginsenosides as an Adjuvant Treatment for Diabetes. Front Pharmacol. 2018 May 1;9:423.
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

20(R)-Protopanaxatriol

protopanaxatriol has been reported in Panax ginseng with data available.

CAS Number1453-93-6
PubChem CID9847853
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 FormulaC30H52O4
Molecular Weight476.7
XLogP5.9
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity817
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
2D structure of 20(R)-Protopanaxatriol
CAS: 1453-93-6
CID: 9847853
Formula: C30H52O4
MW: 476.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.7
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass476.38656014
Monoisotopic Mass476.38656014
Topological Polar Surface Area80.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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