D3676

10-Deacetylbaccatin III from Taxus baccata

≥95% (HPLC)

• Empirical Formula (Hill Notation): C₂₉H₃₆O₁₀
• CAS Number: 32981-86-5
• Molecular Weight: 544.59
• MDL number: MFCD00132913
• UNSPSC Code: 51102829
• PubChem Substance ID: 24893778
• NACRES: NA.85

Properties

• biological source: Taxus baccata
• assay: ≥95% (HPLC)
• form: solid
• mol wt: 544.59 g/mol
• color: white
• solubility: methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)
• antibiotic activity spectrum: neoplastics
• mode of action: DNA synthesis | interferes
• storage temp.: 2-8°C
• SMILES string: [H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C
• InChI: 1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
• InChI key: YWLXLRUDGLRYDR-ZHPRIASZSA-N

Description

Application

10-Deacetylbaccatin III is used as a chemical intermediate in the preparation of the anti-cancer drug paclitaxel (Taxol). It is used to study the taxol biosynthetic pathway.

Biochem/physiol Actions

10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H315,H319,H335,H340,H350,H373
• pcodes: P202 - P260 - P264 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)