| SpectraBase Compound ID | BpirEgq2ibl |
|---|---|
| InChI | InChI=1S/2C42H64O20/c2*1-17(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/h2*15-19,21-22,25-36,39-52H,4-14H2,1-3H3/t17?,18?,19-,21+,22+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,39-,40-,41-,42+;17?,18?,19-,21+,22+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40-,41+,42+/m00/s1 |
| InChIKey | NHLYRPIZUIEYAG-RJRDZSHCSA-N |
| Mol Weight | 1777.9 g/mol |
| Molecular Formula | C84H128O40 |
| Exact Mass | 1776.798189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFukAhqq0P6 |
|---|---|
| Name | PREMNAODOROSIDE-F;ISOMERIC-MIXTURE |
| Compound Number | 415 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H128O40 |
| InChI | InChI=1S/2C42H64O20/c2*1-17(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/h2*15-19,21-22,25-36,39-52H,4-14H2,1-3H3/t17?,18?,19-,21+,22+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,39-,40-,41-,42+;17?,18?,19-,21+,22+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40-,41+,42+/m00/s1 |
| InChIKey | NHLYRPIZUIEYAG-RJRDZSHCSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 1777.916 g/mol |
| Sample ID | 38209 |
| Solvent | CD3OD |