CAS Number32981-86-5
Synonyms10-Dab; 10-DAB (10-Deacetylbaccatin); MFCD00132913; EINECS 418-680-6; (2α,5β,7β,10α,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; (2α,5β,7β,10β,13α)-4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 10-Deacetylbaccatine; 10-deacetylbaccatin11; 10-DAB-III; 10DBA III; 10-Deacetyl; 10-DEACETYLBACCATIN; 10-Deacetylbaccatin-III; 10-desacetylbaccatin III; 10-Deacetylbaccatin III; DESACETYLBACCATINE; (2α,5β,7β,10β,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Molecular FormulaC29H36O10
Molecular Weight544.590
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point716.8±60.0 °C at 760 mmHg
Melting Point231-236 °C
Appearancewhite solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 32981-86-5 |
| Catalog No. | 2A-9041156 |
| Chinese Name | 10-脱乙酰基巴卡丁 III； 10-去乙酰基巴卡亭 |
| Synonyms | 10-Dab; 10-DAB (10-Deacetylbaccatin); MFCD00132913; EINECS 418-680-6; (2α,5β,7β,10α,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; (2α,5β,7β,10β,13α)-4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate; 10-Deacetylbaccatine; 10-deacetylbaccatin11; 10-DAB-III; 10DBA III; 10-Deacetyl; 10-DEACETYLBACCATIN; 10-Deacetylbaccatin-III; 10-desacetylbaccatin III; 10-Deacetylbaccatin III; DESACETYLBACCATINE; (2α,5β,7β,10β,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| Molecular Formula | C29H36O10 |
| Molecular Weight | 544.590 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 716.8±60.0 °C at 760 mmHg |
| Melting Point | 231-236 °C |
| Appearance | white solid |
| Water Solubility | INSOLUBLE |
| Storage Condition | Sealed, store at 2 ºC -8 ºC |
| Packaging | III |
| Application | 10-Deacetylbaccatin-III is an intermediate in the preparation of paclitaxel. |
| SMILES | CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C |
| 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 |
| InChI Key | YWLXLRUDGLRYDR-ZHPRIASZSA-N |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/41156_2_32981_86_5.pdf |
| Bioactivity | Chemical & Physical Properties |
| Use of | 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value:Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. Properties Biological Activity Chemical & Physical Properties |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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