| SpectraBase Compound ID | mz2wX36xEG |
|---|---|
| InChI | InChI=1S/C28H37ClO13/c1-10-18(29)22-28(36,11(2)25(34)42-22)24(40-15(6)33)21-26(7,23(39-14(5)32)20-19(10)41-20)16(37-12(3)30)9-17(27(21,8)35)38-13(4)31/h11,16-24,35-36H,1,9H2,2-8H3/t11-,16-,17+,18-,19+,20+,21+,22-,23-,24-,26-,27+,28-/m0/s1 |
| InChIKey | UHYHTBNXOVXPOM-JMNHMDEOSA-N |
| Mol Weight | 617.0 g/mol |
| Molecular Formula | C28H37ClO13 |
| Exact Mass | 616.192269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tzrmArmbod |
|---|---|
| Name | BRIAREIN-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37ClO13 |
| InChI | InChI=1S/C28H37ClO13/c1-10-18(29)22-28(36,11(2)25(34)42-22)24(40-15(6)33)21-26(7,23(39-14(5)32)20-19(10)41-20)16(37-12(3)30)9-17(27(21,8)35)38-13(4)31/h11,16-24,35-36H,1,9H2,2-8H3/t11-,16-,17+,18-,19+,20+,21+,22-,23-,24-,26-,27+,28-/m0/s1 |
| InChIKey | UHYHTBNXOVXPOM-JMNHMDEOSA-N |
| Literature Reference Author | A.D.RODRIGUEZ,C.RAMIREZ,O.M.COBAR |
| Literature Reference Citation | J.NAT.PROD.,59,15(1996) |
| Literature Reference DOI | 10.1021/np960001y |
| Molecular Weight | 617.047 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP871 |