| SpectraBase Compound ID | 7GeMC34sdr4 |
|---|---|
| InChI | InChI=1S/C23H28O9/c1-13-7-5-3-2-4-6-8-15(25)9-14-10-16(11-17(26)19(14)22(29)30-13)31-23-21(28)20(27)18(12-24)32-23/h3,5-6,8,10-11,13,18,20-21,23-24,26-28H,2,4,7,9,12H2,1H3/b5-3+,8-6+/t13-,18?,20?,21?,23?/m0/s1 |
| InChIKey | CNLXHVSPNBJADX-IYXVUPLVSA-N |
| Mol Weight | 448.47 g/mol |
| Molecular Formula | C23H28O9 |
| Exact Mass | 448.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCHdbuObvSB |
|---|---|
| Name | MONOCILLIN-II-GLYCOSIDE;TE=300 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O9 |
| InChI | InChI=1S/C23H28O9/c1-13-7-5-3-2-4-6-8-15(25)9-14-10-16(11-17(26)19(14)22(29)30-13)31-23-21(28)20(27)18(12-24)32-23/h3,5-6,8,10-11,13,18,20-21,23-24,26-28H,2,4,7,9,12H2,1H3/b5-3+,8-6+/t13-,18?,20?,21?,23?/m0/s1 |
| InChIKey | CNLXHVSPNBJADX-IYXVUPLVSA-N |
| Literature Reference Author | V.HELLWIG,A.MAYER-BARTSCHMID,H.MUELLER,G.GREIF,G.KLEYMANN,W. ZITZMANN,H.V.TICHY,M |
| Literature Reference Citation | J.NAT.PROD.,66,829(2003) |
| Literature Reference DOI | 10.1021/np020556v |
| Molecular Weight | 448.470 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI7904 |