| SpectraBase Compound ID | BwTGraJ8G3C |
|---|---|
| InChI | InChI=1S/C53H94O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h27,37-39,41-46,48-51,55-57H,8-26,28-36H2,1-7H3/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | WHXVFRBDLSVIIH-RUCVJHJTSA-N |
| Mol Weight | 843.3 g/mol |
| Molecular Formula | C53H94O7 |
| Exact Mass | 842.699955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJkkk9g4jgK |
|---|---|
| Name | 6'-PALMITOXYL-BETA-DAUCOSTERIN |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H94O7 |
| InChI | InChI=1S/C53H94O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-47(54)58-36-46-48(55)49(56)50(57)51(60-46)59-41-31-33-52(6)40(35-41)27-28-42-44-30-29-43(53(44,7)34-32-45(42)52)38(5)25-26-39(9-2)37(3)4/h27,37-39,41-46,48-51,55-57H,8-26,28-36H2,1-7H3/t38-,39-,41+,42+,43-,44+,45+,46-,48-,49+,50-,51-,52+,53-/m1/s1 |
| InChIKey | WHXVFRBDLSVIIH-RUCVJHJTSA-N |
| Literature Reference Author | J.X.LIU,D.L.DI,Y.P.SHI |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,55,863(2008) |
| Literature Reference DOI | 10.1002/jccs.200800129 |
| Molecular Weight | 843.325 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR15631 |