alpha-Toxicarol

Base Information

Chemical Name:alpha-Toxicarol
CAS No.:82-09-7
Molecular Formula:C23H22O7
Molecular Weight:410.423
Hs Code.:
Nikkaji Number:J10.501E
Wikidata:Q27108457
Metabolomics Workbench ID:22673
ChEMBL ID:CHEMBL508992
Mol file:82-09-7.mol

Synonyms:alpha-toxicarol;toxicarol

Suppliers and Price of alpha-Toxicarol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
α-Toxicarol 95+%
5mg
$ 810.00

Total 17 raw suppliers

Chemical Property of alpha-Toxicarol

Chemical Property:

Vapor Pressure:2.46E-15mmHg at 25°C
Melting Point:222℃
Refractive Index:>1.768
Boiling Point:607.2 °C at 760 mmHg
Flash Point:213 °C
PSA：83.45000
Density:1.312 g/cm³
LogP:3.71350
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:410.13655304
Heavy Atom Count:30
Complexity:706

Purity/Quality:

98%Min ^*data from raw suppliers

α-Toxicarol 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O)C
Isomeric SMILES:CC1(C=CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O)C

Technology Process of alpha-Toxicarol

There total 4 articles about alpha-Toxicarol 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: 25.0%

: 59086-93-0
6a,12a-dehydro-α-toxicarol

: 82-09-7,13133-20-5,111057-92-2,123000-22-6
(+/-)-trans-α-toxicarol

Guidance literature:: With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -78 ℃; for 1h;

Reference yield:

: 139664-41-8
Sumatrolic acid

: 82-09-7
alpha-toxicarol

Guidance literature:: With Na-Pi buffer; In ethanol; at 31 ℃; for 14h; deguelin cyclase (from Tephrosia vogellii seedlings);
DOI:10.1016/0031-9422(92)90016-J

Reference yield:

: 82-10-0
sumatrol

: 82-09-7
alpha-toxicarol

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/BaSO₄ / pyridine / 760 Torr

2: Na-Pi buffer / ethanol / 14 h / 31 °C / deguelin cyclase (from Tephrosia vogellii seedlings)

With Na-Pi buffer; hydrogen; Pd-BaSO₄; In pyridine; ethanol;
DOI:10.1016/0031-9422(92)90016-J