Name: 10-Deacetylbaccatin III
CAS Number: 32981-86-5
EINECS Number: 418-680-6
Chemical Formula: C₂₉H₃₆O₁₀
Molecular weight: 544.59 g/mol
InChI 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 Density 1.20~1.41 g/cm³ (estimated value)
Boiling point: 716.8±60.0 °C / 717 °C (predicted value)
Flash point: >110 °C (230 °F)
Water solubility: Insoluble
Vapor pressure: Very low (negligible at 20 °C)
Refractive index: 1.5376 (estimated value)
Storage conditions: Store at 2-8 °C, sealed, dry, and protected from light; or at room temperature, sealed, and dry.
Sensitivity: Sensitive to light; sensitive to humidity; requires drying.
Appearance: White powder or crystalline powder
Specific gravity: Approximately 1.20~1.41 (consistent with density)
Color: White
MDL number: MFCD00132913 / MFCD09027979
Hazard symbol: T (Toxic substance)
Risk terms: R23/24/25 (Toxic if inhaled, comes into contact with skin, or is ingested)
Safety terms: S36/37/39 (Wear protective clothing, gloves, and goggles/face shield); S38 (Wear respiratory equipment in poorly ventilated areas); S45 (Seek immediate medical attention in case of accident or discomfort, and carry the product container label)
Customs Code 2932999023 (Deacetylated baccatin III/Taxus extract 10-DAB)
II. Properties
10-Deacetylated baccatin III (10-DAB) is a natural taxane tetracyclic diterpenoid compound, a white to off-white crystalline powder at room temperature. Its melting point is 231~236 °C, and its specific rotation [α]D²⁵ = -44.5° (c=1, methanol). This product is soluble in organic solvents such as methanol (hot), ethanol, dichloromethane, DMSO, and chloroform; slightly soluble in acetonitrile; and almost insoluble in water. The molecular structure contains multiple hydroxyl and ester groups, exhibiting strong hydrogen bond donor/acceptor capabilities (4 hydrogen bond donors, 10 hydrogen bond acceptors), with a lipid-water partition coefficient (LogP) of approximately 0.6, demonstrating moderate polarity. Chemically, the C-13 hydroxyl group of 10-DAB exhibits high reactivity and is a key reaction site for the semi-synthesis of paclitaxel and docetaxel; the C-10 position is a deacetylated free hydroxyl group, showing significantly different activity compared to Baccatin III. This product is sensitive to light, heat, and humidity; prolonged exposure to light or high temperatures may cause degradation. It must be stored under an inert atmosphere or in a sealed, light-protected condition.
III. Uses
10-DAB is one of the most crucial natural prodrug intermediates in the semi-synthesis of antitumor drugs. Because it can be extracted from the branches and leaves of renewable yew trees, and paclitaxel is present in extremely low amounts in natural plants, 10-DAB is commonly used industrially as a starting material to semi-synthesize paclitaxel and docetaxel through steps such as C-13 side-chain acylation and C-10 acetylation. Furthermore, 10-DAB is also a key building block in the synthesis of cabazitaxel and other taxane derivatives. In the research field, this product is used as a paclitaxel/docetaxel related substance reference standard, HPLC impurity standard (such as docetaxel EP impurity E, paclitaxel impurity 19), and is widely used in structure-activity relationship studies of antitumor drugs, plant metabolic pathway studies, and new drug discovery screening.
IV. Preparation Methods
1. Natural Extraction Method (Mainstream Industrial Route)
Using dried branches, leaves, or bark of *Taxus* spp. plants (such as *Taxus brevifolia*, *Taxus baccata*, *Taxus cuspidata*, and *Taxus media*), high-purity 10-DAB is obtained through crushing, extraction with an organic solvent (ethanol/methanol/dichloromethane mixture), enrichment with macroporous resin, separation by silica gel column chromatography, and recrystallization purification. Since branches and leaves are a renewable resource, this route is highly sustainable.
2. Plant Cell Culture Method
Large-scale culture of *Taxus* callus or suspension cell lines in a bioreactor is performed. Secondary metabolism is stimulated using elicitors (such as methyl jasmonate and salicylic acid), and 10-DAB is extracted from the culture medium or cell clusters. This method does not rely on wild plant resources and aligns with green manufacturing trends, but currently, the cost is higher than direct extraction.
3. Chemical/Biocatalytic Semi-synthetic Modification
10-DAB is prepared from Baccatin III via selective C-10 deacetylation (chemical hydrolysis or esterase catalysis); or through biotransformation using genetically engineered bacteria (such as 10-deacetylated baccatin III-10-O-acetyltransferase expressed in E. coli) to achieve directed synthesis.
V. Safety Information
This product is classified as a Toxic Substance (T). Inhalation, skin contact, and ingestion may cause poisoning. Protective gloves (such as nitrile gloves), safety glasses/face shields, and antistatic work clothes should be worn during handling. Operate in a fume hood or well-ventilated area; if ventilation is insufficient, wear appropriate respiratory protection (such as a gas mask). Avoid generating dust and avoid contact with strong oxidizers, strong acids, and strong alkalis. If skin contact occurs, immediately wash with plenty of soap and water; if contact with eyes occurs, rinse with running water or saline solution and seek medical attention. If ingested, do not induce vomiting; immediately bring the product label to a doctor. Waste should be treated as hazardous chemical waste according to local regulations and must not be discharged into sewers or the natural environment. Store in a cool (2-8°C or room temperature, dry), dark, and well-ventilated warehouse, away from fire sources, and stored separately from oxidizers.
VI. Our Production Advantages and Capacity
Raw Material and Supply Chain Advantages: We have stable artificial planting bases for yew trees and long-term cooperative sustainable harvesting channels. Our raw materials are legally sourced and compliant, not limited by wild resources, ensuring a stable supply throughout the year.
Quality Control Advantages: Equipped with a full range of analytical instruments including HPLC, LC-MS, and NMR, we strictly adhere to ICH Q3A/Q3B and pharmacopoeia standards. Each batch comes with COA, HNMR, LC-MS, optical rotation, and residual solvent test reports, meeting API intermediate registration requirements.
Production Capacity: We currently have an annual production capacity of 50-100 kg of 10-DAB (expandable to several hundred kg based on customer needs). We have GMP-standard workshops and dedicated plant extraction production lines, and can accept customized orders from gram to ton levels.
Production Capacity: Customized Services: Supports extended custom synthesis from 10-DAB down to downstream paclitaxel and docetaxel intermediates; provides targeted preparation and structural confirmation services for EP/BP/USP standard impurity reference standards (such as Docetaxel EP Impurity E, Paclitaxel Impurity 19).
Compliance and Export: Possesses complete qualifications for the production/operation of hazardous chemicals; products have completed REACH pre-registration and DMF filing support in multiple countries, enabling compliant global export; customs code 2932999023 with complete declaration documents.
Post time: Jun-03-2026
