| SpectraBase Compound ID | 7y1AgzNq4cz |
|---|---|
| InChI | InChI=1S/C54H83NO11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(58)63-42-46(65-50(59)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-64-54-53(62)52(61)51(60)47(66-54)41-55-48(57)40-37-44-35-38-45(56)39-36-44/h5-8,11-14,17-20,35-36,38-39,46-47,51-54,56,60-62H,3-4,9-10,15-16,21-34,37,40-43H2,1-2H3,(H,55,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t46?,47-,51-,52+,53-,54+/m0/s1 |
| InChIKey | MXHQMADMQRFPEW-ULABUGBBSA-N |
| Mol Weight | 922.3 g/mol |
| Molecular Formula | C54H83NO11 |
| Exact Mass | 921.596612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6c5v7WNo7C3 |
|---|---|
| Name | 1,2-DI-O-(9Z,12Z,15Z-OCTADECATRIENOYL)-3-O-(6-PARA-HYDROXY-PHENYL-PROPIONAMIDO-6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-GLYCEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H83NO11 |
| InChI | InChI=1S/C54H83NO11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(58)63-42-46(65-50(59)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43-64-54-53(62)52(61)51(60)47(66-54)41-55-48(57)40-37-44-35-38-45(56)39-36-44/h5-8,11-14,17-20,35-36,38-39,46-47,51-54,56,60-62H,3-4,9-10,15-16,21-34,37,40-43H2,1-2H3,(H,55,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t46?,47-,51-,52+,53-,54+/m0/s1 |
| InChIKey | MXHQMADMQRFPEW-ULABUGBBSA-N |
| Literature Reference Author | J.Q.DAI,Q.X.ZHU,C.Y.ZHAO,L.YANG,Y.LI |
| Literature Reference Citation | PHYTOCHEM.,58,1305(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00308-9 |
| Molecular Weight | 922.253 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU3195 |