| SpectraBase Compound ID | 7Lx5Jos5X06 |
|---|---|
| InChI | InChI=1S/C47H50O22/c1-25(48)61-23-37-43(64-26(2)49)42(58)44(65-27(3)50)46(66-37)69-47(24-63-39(55)17-10-28-6-13-31(51)14-7-28)45(67-40(56)19-12-30-9-16-33(53)35(21-30)60-5)41(57)36(68-47)22-62-38(54)18-11-29-8-15-32(52)34(20-29)59-4/h6-21,36-37,41-46,51-53,57-58H,22-24H2,1-5H3/b17-10+,18-11+,19-12+/t36-,37-,41-,42+,43-,44-,45+,46-,47+/m0/s1 |
| InChIKey | YWJVWLXJQRVTIF-OHFBIXMGSA-N |
| Mol Weight | 966.9 g/mol |
| Molecular Formula | C47H50O22 |
| Exact Mass | 966.279373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20Nxh702Hbv |
|---|---|
| Name | SMIGLASIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H50O22 |
| InChI | InChI=1S/C47H50O22/c1-25(48)61-23-37-43(64-26(2)49)42(58)44(65-27(3)50)46(66-37)69-47(24-63-39(55)17-10-28-6-13-31(51)14-7-28)45(67-40(56)19-12-30-9-16-33(53)35(21-30)60-5)41(57)36(68-47)22-62-38(54)18-11-29-8-15-32(52)34(20-29)59-4/h6-21,36-37,41-46,51-53,57-58H,22-24H2,1-5H3/b17-10+,18-11+,19-12+/t36-,37-,41-,42+,43-,44-,45+,46-,47+/m0/s1 |
| InChIKey | YWJVWLXJQRVTIF-OHFBIXMGSA-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 | 966.901 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2303 |