10-Deacetylbaccatine(III)
10-Deacetyl Baccatin ¢ó
CAS: 32981-86-5;92999-93-4
Molecular Formula: C29H36O10
10-Deacetylbaccatine(III) - Names and Identifiers
| Name | 10-Deacetyl Baccatin ¢ ó |
| Synonyms | ó 10-DAB 10-DB III Deacetylbaccatin III 10-deacetylbaccatin11 10-Deacetylbaccatin III 10-Deacetylbaccatine III 10-Deacetyl Baccatin lll 10-Deacetylbaccatine(III) 10-DAB(10-Deacetylbaccatin Ⅲ 10-deacetylbaccatiniii(extaxusbaccata) 10-DEACETYLBACCATIN III FROMTAXUS BACCAT A 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-(2aalpha,4beta,4aalpha,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))- |
| CAS | 32981-86-5 92999-93-4 |
| EINECS | 418-680-6 |
| InChI | InChI=1/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 |
| InChIKey | YWLXLRUDGLRYDR-IYNRKYTHSA-N |
10-Deacetylbaccatine(III) - Physico-chemical Properties
| Molecular Formula | C29H36O10 |
| Molar Mass | 544.59 |
| Density | 1.2007 (rough estimate) |
| Melting Point | 231-236 °C |
| Boling Point | 717℃ |
| Specific Rotation(α) | -44.5 º (c=1, methanol 25 ºC) |
| Flash Point | >110°(230°F) |
| Water Solubility | INSOLUBLE |
| Solubility | Soluble in ethanol, dichloromethane, etc., slightly soluble in acetonitrile, etc. |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | White crystal |
| Color | white |
| pKa | 11.50±0.70(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5376 (estimate) |
| MDL | MFCD00132913 |
| Physical and Chemical Properties | White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from the leaves of Taxus chinensis. |
10-Deacetylbaccatine(III) - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 1544 |
| WGK Germany | 3 |
| HS Code | 29329990 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
10-Deacetylbaccatine(III) - Reference
| Reference Show more | 1. [IF=4.411] Li Yang et al."Seasonal Dynamics of Metabolites in Needles of Taxus wallichiana var. mairei."Molecules. 2016 Oct;21(10):1403 2. [IF=4.412] Zirui Zhao et al."Identification and Optimization of a Novel Taxanes Extraction Process from Taxus cuspidata Needles by High-Intensity Pulsed Electric Field."MOLECULES. 2022 Jan;27(9):3010 |
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