| SpectraBase Compound ID | 3ogoHfgsCDw |
|---|---|
| InChI | InChI=1S/C42H62O20/c1-17(8-9-55-37(53)23-15-57-39(29-19(3)25(45)10-21(23)29)61-41-35(51)33(49)31(47)27(12-43)59-41)6-5-7-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)11-22(24)30)62-42-36(52)34(50)32(48)28(13-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3/t17?,18?,21-,22-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1 |
| InChIKey | UPBUMUQEFOPAAY-PZPNEOKDSA-N |
| Mol Weight | 886.9 g/mol |
| Molecular Formula | C42H62O20 |
| Exact Mass | 886.383444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAp69AxSTKF |
|---|---|
| Name | PREMNAODOROSIDE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O20 |
| InChI | InChI=1S/C42H62O20/c1-17(8-9-55-37(53)23-15-57-39(29-19(3)25(45)10-21(23)29)61-41-35(51)33(49)31(47)27(12-43)59-41)6-5-7-18(2)14-56-38(54)24-16-58-40(30-20(4)26(46)11-22(24)30)62-42-36(52)34(50)32(48)28(13-44)60-42/h15-18,21-22,25-36,39-52H,3-14H2,1-2H3/t17?,18?,21-,22-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41-,42-/m1/s1 |
| InChIKey | UPBUMUQEFOPAAY-PZPNEOKDSA-N |
| Literature Reference Author | H.SUDO,A.TAKUSHI,E.HIRATA,T.IDE,H.OTSUKA,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,52,1495(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00218-6 |
| Molecular Weight | 886.942 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN218 |