| SpectraBase Compound ID | BoyBhps55JP |
|---|---|
| InChI | InChI=1S/C38H48O18/c1-2-23-24(15-28(42)53-22-9-5-20(6-10-22)12-14-51-37-33(47)31(45)29(43)26(16-39)54-37)25(35(49)50-13-11-19-3-7-21(41)8-4-19)18-52-36(23)56-38-34(48)32(46)30(44)27(17-40)55-38/h2-10,18,24,26-27,29-34,36-41,43-48H,11-17H2,1H3/b23-2-/t24?,26-,27+,29-,30+,31+,32-,33-,34+,36+,37-,38-/m1/s1 |
| InChIKey | LGUOJCQJFWFWJH-PFOTXWMQSA-N |
| Mol Weight | 792.8 g/mol |
| Molecular Formula | C38H48O18 |
| Exact Mass | 792.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6To5HHmBJOT |
|---|---|
| Name | 1'''-O-BETA-D-GLUCOSYLFRAXIFORMOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H48O18 |
| InChI | InChI=1S/C38H48O18/c1-2-23-24(15-28(42)53-22-9-5-20(6-10-22)12-14-51-37-33(47)31(45)29(43)26(16-39)54-37)25(35(49)50-13-11-19-3-7-21(41)8-4-19)18-52-36(23)56-38-34(48)32(46)30(44)27(17-40)55-38/h2-10,18,24,26-27,29-34,36-41,43-48H,11-17H2,1H3/b23-2-/t24?,26-,27+,29-,30+,31+,32-,33-,34+,36+,37-,38-/m1/s1 |
| InChIKey | LGUOJCQJFWFWJH-PFOTXWMQSA-N |
| Literature Reference Author | Z.D.HE,S.UEDA,K.INOUE,M.AKAJI,T.FUJITA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,35,177(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90529-6 |
| Molecular Weight | 792.788 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU24121 |