| SpectraBase Compound ID | DuC3RPwBzQD |
|---|---|
| InChI | InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChIKey | RMCRQBAILCLJGU-SMCKTMTRSA-N |
| Mol Weight | 594.6 g/mol |
| Molecular Formula | C28H34O14 |
| Exact Mass | 594.194856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWub1rd2S7G |
|---|---|
| Name | ANGOPHOROL-7-O-RUTINOPYRANOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H34O14 |
| InChI | InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17?,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChIKey | RMCRQBAILCLJGU-SMCKTMTRSA-N |
| Literature Reference Author | F.J.D.COSTA,P.N.BANDEIRA,M.J.R.ALBUQUERQUE,O.D.L.PESSOA,E.R. SILVEIRA,R.BRAZ-FILH |
| Literature Reference Citation | QUIM.NOVA,31,1691(2008) |
| Literature Reference DOI | 10.1590/s0100-40422008000700017 |
| Molecular Weight | 594.570 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT12071 |