Panaxytriol

Base Information

• Chemical Name: Panaxytriol
• CAS No.: 87005-03-6
• Molecular Formula: C₁₇H₂₆O₃
• Molecular Weight: 278.392
• Hs Code.: 2905499000
• DSSTox Substance ID: DTXSID101007256
• Nikkaji Number: J38.610C
• Wikipedia: Panaxytriol
• Wikidata: Q6635340
• Metabolomics Workbench ID: 3120
• Mol file: 87005-03-6.mol

Synonyms:1-heptadecene-4,6-diyne-3,9,10-triol;panaxytriol

Chemical Property of Panaxytriol

Chemical Property:

• Vapor Pressure: 5.21E-11mmHg at 25°C
• Boiling Point: 474.8°Cat760mmHg
• PKA: 11.67±0.20(Predicted)
• Flash Point: 219°C
• PSA: 60.69000
• Density: 1.052g/cm³
• LogP: 2.01250
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 278.18819469
• Heavy Atom Count: 20
• Complexity: 387

Purity/Quality:

97% ^*data from raw suppliers

(3R,9R,10R)-(-)-Panaxytriol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(C(CC#CC#CC(C=C)O)O)O
• Uses: (3R,9R,10R)-(-)-Panaxytriol is an antitumor substance obtained from the residue of the EtOAc extract of red ginseng,

Technology Process of Panaxytriol

There total 78 articles about Panaxytriol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(1R)-6-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol (87004-99-7) → (3R,9R,10R)-panaxytriol (87005-03-6)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 2h;

DOI:10.1021/ol702651s

Reference yield: 92.0%

(4R,5R)-1-dodecyne-4,5-diol (546084-20-2) + (R)-5-bromo-1-penten-4-yn-3-ol (72800-75-0) → (3R,9R,10R)-panaxytriol (87005-03-6)

Guidance literature:

With hydroxylamine hydrochloride; ethylamine; copper(l) chloride; In methanol; at 0 ℃;

DOI:10.1021/jo0515475

Reference yield: 91.0%

1-heptyl-2,8-di(tert-butyldiphenylsilyloxy)-(1R,2R,8R)-9-decen-4,6-diynyl-1-ol (463942-76-9) → (3R,9R,10R)-panaxytriol (87005-03-6)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/S0040-4020(02)00423-4

upstream raw materials:

8-[3-heptyl-(2R,3S)-oxiran-2-yl]-(3R)-1-octen-4,6-diyn-3-ol

(3R,9R,10R)-10-tert-butyldimethylsilyloxy-3-tert-butyldiphenylsilyloxy-heptadec-1-ene-4,6-diyne-9-ol

(1R)-6-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-vinyl-2,4-hexadiynyl alcohol

1-heptyl-2,8-di(tert-butyldiphenylsilyloxy)-(1R,2R,8R)-9-decen-4,6-diynyl-1-ol

Downstream raw materials:

Acetic acid (R)-1-ethyl-6-((4R,5R)-5-heptyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-hexyl ester

C₂₉H₃₆O₄

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