| SpectraBase Compound ID | JCedDxgL7Ep |
|---|---|
| InChI | InChI=1S/C29H34O10/c1-14-12-20-23(15(2)19(14)10-11-30)24(34)16(3)27(20)39-29-26(36)25(35)28(21(13-31)37-29)38-22(33)9-6-17-4-7-18(32)8-5-17/h4-9,12,16,21,25-32,35-36H,10-11,13H2,1-3H3/b9-6+/t16-,21+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | XHAHKCFIMDRADG-KIEYIYDWSA-N |
| Mol Weight | 542.6 g/mol |
| Molecular Formula | C29H34O10 |
| Exact Mass | 542.215197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BT4ivppFhHS |
|---|---|
| Name | MULTIFIDOSIDE_A;(2-S,3-S)-PTEROSIN_C_3-O-BETA-(4'-PARA-COUMAROYL)-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H34O10 |
| InChI | InChI=1S/C29H34O10/c1-14-12-20-23(15(2)19(14)10-11-30)24(34)16(3)27(20)39-29-26(36)25(35)28(21(13-31)37-29)38-22(33)9-6-17-4-7-18(32)8-5-17/h4-9,12,16,21,25-32,35-36H,10-11,13H2,1-3H3/b9-6+/t16-,21+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | XHAHKCFIMDRADG-KIEYIYDWSA-N |
| Literature Reference Author | X.GE,G.YE,P.LI,W.J.TANG,J.L.GAO,W.M.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,71,227(2008) |
| Literature Reference DOI | 10.1021/np0706421 |
| Molecular Weight | 542.583 g/mol |
| Sample ID | 27459 |
| Solvent | C5D5N |