| SpectraBase Compound ID | 3822cfCfUdk |
|---|---|
| InChI | InChI=1S/C21H36O5/c1-8-19(4)11-9-15-20(5,12-10-16(23)25-7)17(18(2,3)24)14(22)13-21(15,6)26-19/h8,14-15,17,22,24H,1,9-13H2,2-7H3/t14-,15+,17-,19+,20+,21+/m1/s1 |
| InChIKey | RVQIZLRIVISTLI-QHMRTVNZSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C21H36O5 |
| Exact Mass | 368.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1D9345bwewC |
|---|---|
| Name | AGALLOCHIN-M;ENT-13-EPI-8,13-EPOXY-4,6-ALPHA-DIHYDROXY-3,4-SECOLABD-14-EN-3-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O5 |
| InChI | InChI=1S/C21H36O5/c1-8-19(4)11-9-15-20(5,12-10-16(23)25-7)17(18(2,3)24)14(22)13-21(15,6)26-19/h8,14-15,17,22,24H,1,9-13H2,2-7H3/t14-,15+,17-,19+,20+,21+/m1/s1 |
| InChIKey | RVQIZLRIVISTLI-QHMRTVNZSA-N |
| Literature Reference Author | A.S.R.ANJANEYULU,V.L.RAO |
| Literature Reference Citation | PHYTOCHEM.,62,585(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00269-8 |
| Molecular Weight | 368.514 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26862 |