| SpectraBase Compound ID | 4bcp31TMeIM |
|---|---|
| InChI | InChI=1S/C42H66O20/c1-18(9-11-55-36(52)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41)6-5-7-19(2)15-56-37(53)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21+,22-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1 |
| InChIKey | JIUZSBAXPZBGBT-QHYMQZHTSA-N |
| Mol Weight | 891.0 g/mol |
| Molecular Formula | C42H66O20 |
| Exact Mass | 890.414745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lgay2aetFTX |
|---|---|
| Name | PREMNAODOROSIDE_B;DIASTEREOMER_2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O20 |
| InChI | InChI=1S/C42H66O20/c1-18(9-11-55-36(52)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41)6-5-7-19(2)15-56-37(53)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21+,22-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1 |
| InChIKey | JIUZSBAXPZBGBT-QHYMQZHTSA-N |
| Literature Reference Author | H.OTSUKA,N.KASHIMA,T.HAYASHI,N.KUBO,K.YAMASAKI,W.G.PADOLINA |
| Literature Reference Citation | PHYTOCHEM.,31,3129(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83459-C |
| Molecular Weight | 890.974 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ21442 |