| SpectraBase Compound ID | G52AedyCD7t |
|---|---|
| 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 |
| InChIKey | YWLXLRUDGLRYDR-UCPHJIDDSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C29H36O10 |
| Exact Mass | 544.230847 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JWBKbFWrmlD |
|---|---|
| Name | 10-Deacetylbaccatin III |
| CAS Registry Number | 32981-86-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O10 |
| 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 |
| InChIKey | YWLXLRUDGLRYDR-UCPHJIDDSA-N |
| Molecular Weight | 544.597 g/mol |
| SMILES | OC1CC2C(C3C1(C(C(C=1C([C@](C3OC(=O)c3ccccc3)(O)CC(C1C)O)(C)C)O)=O)C)(OC(C)=O)CO2 |
| SPLASH | splash10-0a4l-3900000000-88ef7f35a8ae0ea00c53 |
| Source of Spectrum | J-46-1474-0 |
| Synonyms | 10-Deacetylbaccatin V 10-Desacetylbaccatin 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,4S,4aS,6R,9S,11S,12S,12aR,12bS)- Tetrol fr. taxus brevifolia |
| Wiley ID | 1405047 |