| SpectraBase Compound ID | Jr6PQExzb7S |
|---|---|
| InChI | InChI=1S/C25H31NO12/c27-9-7-14-3-5-16(6-4-14)36-23-20(19(30)18(29)17(11-28)37-23)38-24-21(31)25(33,13-35-24)12-34-22(32)15-2-1-8-26-10-15/h1-6,8,10,17-21,23-24,27-31,33H,7,9,11-13H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1 |
| InChIKey | SXPOXYLEVCBOBE-KXQNOTADSA-N |
| Mol Weight | 537.52 g/mol |
| Molecular Formula | C25H31NO12 |
| Exact Mass | 537.184625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jqXa7C6iJu |
|---|---|
| Name | CUCURBITOSIDE_H;4-(2-HYDROXYETHYL)-PHENYL_5-O-NICOTINYL-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31NO12 |
| InChI | InChI=1S/C25H31NO12/c27-9-7-14-3-5-16(6-4-14)36-23-20(19(30)18(29)17(11-28)37-23)38-24-21(31)25(33,13-35-24)12-34-22(32)15-2-1-8-26-10-15/h1-6,8,10,17-21,23-24,27-31,33H,7,9,11-13H2/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1 |
| InChIKey | SXPOXYLEVCBOBE-KXQNOTADSA-N |
| Literature Reference Author | W.LI,K.KOIKE,M.TATSUZAKI,A.KOIDE,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,68,1754(2005) |
| Literature Reference DOI | 10.1021/np050328b |
| Molecular Weight | 537.521 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ12305 |