| SpectraBase Compound ID | FJFvlnkr0Df |
|---|---|
| InChI | InChI=1S/C42H40O21.K.Na/c43-15-32-35(51)36(52)37(53)42(63-32)62-29-14-20-19(13-28(29)50)11-21(40(58)60-30(38(54)55)9-16-1-4-22(44)25(47)7-16)34(33(20)18-3-6-24(46)27(49)12-18)41(59)61-31(39(56)57)10-17-2-5-23(45)26(48)8-17;;/h1-8,11-14,30-37,42-53H,9-10,15H2,(H,54,55)(H,56,57);;/q;2*+1/p-2/t30-,31+,32+,33+,34?,35+,36-,37+,42+;;/m0../s1 |
| InChIKey | FKGADXLCCJYOLT-OFPRNBMHSA-L |
| Mol Weight | 940.83307928 g/mol |
| Molecular Formula | C42H38KNaO21 |
| Exact Mass | 940.144034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbmD3rV1ooI |
|---|---|
| Name | DIPOTASSIUM-OR-SODIUMPOTASSIUM-RABDOSIIN-7-ORTHO-BETA-D-GLUCOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H38KNaO21 |
| InChI | InChI=1S/C42H40O21.K.Na/c43-15-32-35(51)36(52)37(53)42(63-32)62-29-14-20-19(13-28(29)50)11-21(40(58)60-30(38(54)55)9-16-1-4-22(44)25(47)7-16)34(33(20)18-3-6-24(46)27(49)12-18)41(59)61-31(39(56)57)10-17-2-5-23(45)26(48)8-17;;/h1-8,11-14,30-37,42-53H,9-10,15H2,(H,54,55)(H,56,57);;/q;2*+1/p-2/t30-,31+,32+,33+,34?,35+,36-,37+,42+;;/m0../s1 |
| InChIKey | FKGADXLCCJYOLT-OFPRNBMHSA-L |
| Literature Reference Author | Y.KASHIWADA,M.NISHIZAWA,T.YAMAGISHI,T.TANAKA,G.I.NONAKA,L.M. COSENTINO,J.V.SNIDER |
| Literature Reference Citation | J.NAT.PROD.,58,392(1995) |
| Literature Reference DOI | 10.1021/np50117a007 |
| Molecular Weight | 940.839 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWMR119 |