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13-epi-10-Deacetyl Baccatin III

Base Information Edit
  • Chemical Name:13-epi-10-Deacetyl Baccatin III
  • CAS No.:32981-86-5
  • Molecular Formula:C29H36O10
  • Molecular Weight:544.599
  • Hs Code.:29329990
  • European Community (EC) Number:608-810-1
  • NSC Number:251677
  • Wikipedia:10-Deacetylbaccatin
  • Wikidata:Q110077677
  • Metabolomics Workbench ID:124241
  • ChEMBL ID:CHEMBL1713307
  • Mol file:32981-86-5.mol
13-epi-10-Deacetyl Baccatin III

Synonyms:32981-86-5;MLS002702103;NSC251677;10-DEACETYLBACCATIN-III;10-Deacetyl baccatin III;10-DAB III;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,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-,[2aR-(2aa,4b,4aa,6b,9a,11a,12a,12aa,12ba)]-;10-Desacetylbaccatin III;92999-93-4;NSC-251677;Tetrol fr. Taxus Brevifolia;SCHEMBL432541;10-DAB;CHEMBL1713307;YWLXLRUDGLRYDR-UHFFFAOYSA-N;BCP07070;BCP29274;STL565984;AKOS015895539;AKOS024288610;AC-8253;NCI60_002012;PD013811;SMR001565671;FT-0665489;FT-0665490;FT-0700873;10-Deacetyl pound>>7-epi-10-DAB pound>>Docetaxel 7-Epi-DAB-Impurity;10-Deacetylbaccatin;10-Deacetylbaccatin III;10-Deacetylbaccatin-III;4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate;[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10.0^{4,7]heptadec-13-en-2-yl] benzoate

Suppliers and Price of 13-epi-10-Deacetyl Baccatin III
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
  • 10-Deacetylbaccatin III
  • 1mg
  • $ 55.00
  • TCI Chemical
  • 10-Deacetylbaccatin III >98.0%(HPLC)
  • 500mg
  • $ 336.00
  • TCI Chemical
  • 10-Deacetylbaccatin III >98.0%(HPLC)
  • 100mg
  • $ 97.00
  • Sigma-Aldrich
  • 10-Deacetylbaccatin III from Taxus baccata ≥95% (HPLC)
  • 1mg
  • $ 91.30
  • Sigma-Aldrich
  • 10-Deacetylbaccatin III phyproof? Reference Substance
  • 10mg
  • $ 126.00
  • Sigma-Aldrich
  • Docetaxel impurity E European Pharmacopoeia (EP) Reference Standard
  • $ 190.00
  • Sigma-Aldrich
  • Docetaxel impurity E European Pharmacopoeia (EP) Reference Standard
  • y0001452
  • $ 190.00
  • Sigma-Aldrich
  • 10-Deacetylbaccatin III from Taxus baccata ≥95% (HPLC)
  • 5mg
  • $ 305.00
  • Medical Isotopes, Inc.
  • 10-Deacetylbaccatin III
  • 5 mg
  • $ 860.00
  • DC Chemicals
  • 10-Deacetylbaccatin III >98%,StandardReferencesGrade
  • 20 mg
  • $ 280.00
Total 218 raw suppliers
Chemical Property of 13-epi-10-Deacetyl Baccatin III Edit
Chemical Property:
  • Appearance/Colour:white solid 
  • Vapor Pressure:0mmHg at 25°C 
  • Melting Point:231-236 °C 
  • Refractive Index:1.624 
  • Boiling Point:716.8 °C at 760 mmHg 
  • PKA:11.50±0.70(Predicted) 
  • Flash Point:233.5 °C 
  • PSA:159.82000 
  • Density:1.41 g/cm3 
  • LogP:1.08180 
  • Storage Temp.:2-8°C 
  • Solubility.:methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH) 
  • Water Solubility.:INSOLUBLE 
  • 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:

99%, *data from raw suppliers

10-Deacetylbaccatin III *data from reagent suppliers

Safty Information:
  • Pictogram(s): Toxic
  • Hazard Codes:
  • Statements: 23/24/25 
  • Safety Statements: 45-38-36/37/39-28A-24/25 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

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
  • Uses 10-DAB (10-Deacetylbaccatin) is an antineoplastic agent and an anti-cancer intermediate. 10-DAB (10-Deacetylbaccatin) has gained great attention because of its partly excellent anti-cancer properties. 10-DAB (10-Deacetylbaccatin) can be gained from the le 10-Deacetyl Baccatin III is an impurity of Paclitaxel (P132500) and derivatives. 10-Deacetylbaccatin III is a intermediate in the synthesis of Taxol and derivatives
Technology Process of 13-epi-10-Deacetyl Baccatin III

There total 45 articles about 13-epi-10-Deacetyl Baccatin III 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:
Guidance literature:
With sodium periodate; In tetrahydrofuran; water; at 30 - 40 ℃; for 144h;
DOI:10.1016/S0040-4039(02)02138-X
Guidance literature:
With hydrazine hydrate; In ethanol; for 2h; Ambient temperature;
DOI:10.1021/jo00108a053
Guidance literature:
With hydrazine hydrate; In ethanol; for 2h; Ambient temperature;
DOI:10.1021/jo00108a053
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