| SpectraBase Compound ID | 4OwCifyd1vH |
|---|---|
| InChI | InChI=1S/2C19H30O9.2Na/c2*1-5-19(4,8-6-7-11(2)3)28-18-17(25)16(24)15(23)12(27-18)10-26-14(22)9-13(20)21;;/h2*5,7,12,15-18,23-25H,1,6,8-10H2,2-4H3,(H,20,21);;/q;;2*+1/p-2/t2*12-,15-,16+,17-,18+,19+;;/m00../s1 |
| InChIKey | FJHRFOKURRLODZ-BFMOJCOHSA-L |
| Mol Weight | 848.84353856 g/mol |
| Molecular Formula | C38H58Na2O18 |
| Exact Mass | 848.341854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBNgXjPxGlU |
|---|---|
| Name | LINALYL-6'-O-MALONYL-BETA-D-GLUCOPYRANOSIDE-SODIUM-SALT |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58Na2O18 |
| InChI | InChI=1S/2C19H30O9.2Na/c2*1-5-19(4,8-6-7-11(2)3)28-18-17(25)16(24)15(23)12(27-18)10-26-14(22)9-13(20)21;;/h2*5,7,12,15-18,23-25H,1,6,8-10H2,2-4H3,(H,20,21);;/q;;2*+1/p-2/t2*12-,15-,16+,17-,18+,19+;;/m00../s1 |
| InChIKey | FJHRFOKURRLODZ-BFMOJCOHSA-L |
| Literature Reference Author | J.MOON,N.WATANABE,K.SAKATA,J.INAGAKI,A.YAGI,K.INA,S.LUO |
| Literature Reference Citation | PHYTOCHEM.,36,1435(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89737-X |
| Molecular Weight | 848.847 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU26383 |