13-epi-10-DAB

Base Information Edit

Chemical Name:13-epi-10-DAB
CAS No.:172018-16-5
Molecular Formula:C₂₉H₃₆O₁₀
Molecular Weight:544.599
Hs Code.:
DSSTox Substance ID:DTXSID20415718
Nikkaji Number:J696.397H
Wikidata:Q82224695
Mol file:172018-16-5.mol

Synonyms:13-epi-10-DAB;172018-16-5;[(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;Docetaxel Impurity 3;13-Epi-10-deacetylbaccatin III;DTXSID20415718;[2aR-(2aalpha,4beta,4abeta,6beta,9beta,11alpha,12alpha,12aalpha,12balpha)]-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one

Suppliers and Price of 13-epi-10-DAB

Supply Marketing:Edit

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

TRC
13-epi-10-DeacetylBaccatinIII
0.5mg
$ 185.00

Total 5 raw suppliers

Chemical Property of 13-epi-10-DAB Edit

Chemical Property:

Boiling Point:716.8±60.0 °C(Predicted)
PKA:11.50±0.70(Predicted)
PSA：159.82000
Density:1.41±0.1 g/cm3(Predicted)
LogP:1.08180
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:544.23084734
Heavy Atom Count:39
Complexity:1090

Purity/Quality:

98.5% ^*data from raw suppliers

13-epi-10-DeacetylBaccatinIII ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
Uses 13-epi-10-Deacetyl Baccatin III is a new analog of 10-Deacetylbaccatin III (D198250).

Technology Process of 13-epi-10-DAB

There total 62 articles about 13-epi-10-DAB 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: 88.0%