| SpectraBase Compound ID | EHa8fj72oWy |
|---|---|
| InChI | InChI=1S/C46H50O22/c1-24(47)61-21-35-40(55)42(57)43(64-25(2)48)45(65-35)68-46(23-63-38(53)16-10-27-7-13-30(50)33(19-27)59-4)44(66-39(54)17-11-28-8-14-31(51)34(20-28)60-5)41(56)36(67-46)22-62-37(52)15-9-26-6-12-29(49)32(18-26)58-3/h6-20,35-36,40-45,49-51,55-57H,21-23H2,1-5H3/b15-9+,16-10+,17-11+/t35-,36-,40-,41-,42+,43-,44+,45-,46+/m0/s1 |
| InChIKey | JRGWEHCLTJUJTI-ZZJOHCBLSA-N |
| Mol Weight | 954.9 g/mol |
| Molecular Formula | C46H50O22 |
| Exact Mass | 954.279373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDTHgWSZSup |
|---|---|
| Name | SMIGLASIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H50O22 |
| InChI | InChI=1S/C46H50O22/c1-24(47)61-21-35-40(55)42(57)43(64-25(2)48)45(65-35)68-46(23-63-38(53)16-10-27-7-13-30(50)33(19-27)59-4)44(66-39(54)17-11-28-8-14-31(51)34(20-28)60-5)41(56)36(67-46)22-62-37(52)15-9-26-6-12-29(49)32(18-26)58-3/h6-20,35-36,40-45,49-51,55-57H,21-23H2,1-5H3/b15-9+,16-10+,17-11+/t35-,36-,40-,41-,42+,43-,44+,45-,46+/m0/s1 |
| InChIKey | JRGWEHCLTJUJTI-ZZJOHCBLSA-N |
| Literature Reference Author | T.CHEN,J.X.LI,Q.XU |
| Literature Reference Citation | PHYTOCHEM.,53,1051(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00522-1 |
| Molecular Weight | 954.890 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2301 |