| SpectraBase Compound ID | BjlbCH1JFQL |
|---|---|
| InChI | InChI=1S/C52H66O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-40(53)58-33-48-45(60-48)42-46-50(34(2)3)44(59-41(54)31-30-37-25-20-18-21-26-37)36(5)51(42,39-32-35(4)43(55)49(39,57)47(48)56)63-52(61-46,62-50)38-27-22-19-23-28-38/h18-23,25-28,30-32,36,39,42,44-47,56-57H,2,6-17,24,29,33H2,1,3-5H3/b31-30+/t36-,39?,42?,44-,45+,46-,47-,48+,49-,50+,51+,52-/m1/s1 |
| InChIKey | ROQRYYKZDFSIMF-BHSQLTHQSA-N |
| Mol Weight | 867.1 g/mol |
| Molecular Formula | C52H66O11 |
| Exact Mass | 866.460513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fgtbb4LT79v |
|---|---|
| Name | GNIDICIN-20-PALMITATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H66O11 |
| InChI | InChI=1S/C52H66O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-40(53)58-33-48-45(60-48)42-46-50(34(2)3)44(59-41(54)31-30-37-25-20-18-21-26-37)36(5)51(42,39-32-35(4)43(55)49(39,57)47(48)56)63-52(61-46,62-50)38-27-22-19-23-28-38/h18-23,25-28,30-32,36,39,42,44-47,56-57H,2,6-17,24,29,33H2,1,3-5H3/b31-30+/t36-,39?,42?,44-,45+,46-,47-,48+,49-,50+,51+,52-/m1/s1 |
| InChIKey | ROQRYYKZDFSIMF-BHSQLTHQSA-N |
| Literature Reference Author | H.TANINAKA,Y.TAKAISHI,G.HONDA,Y.IMAKURA,E.SEZIK,E.YESILADA |
| Literature Reference Citation | PHYTOCHEM.,52,1525(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00305-2 |
| Molecular Weight | 867.089 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN241 |