| SpectraBase Compound ID | 3O2ajCUjqaU |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23-,24?,26+,27-/m1/s1 |
| InChIKey | WGSYIFPPMZUQAN-OWSHGPQLSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H38O4 |
| Exact Mass | 426.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Jc8amWclNj1 |
|---|---|
| Name | SCOPADIOL;6-BENZOYL-LABDA-8(17),13-DIENE-15,18-DIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23-,24?,26+,27-/m1/s1 |
| InChIKey | WGSYIFPPMZUQAN-OWSHGPQLSA-N |
| Literature Reference Author | T.HAYASHI,K.OKAMURA,Y.TAMADA,A.IIDA,T.FUJITA,N.MORITA |
| Literature Reference Citation | PHYTOCHEM.,32,349(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94992-6 |
| Molecular Weight | 426.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3620 |