| SpectraBase Compound ID | xEjzF5vZVC |
|---|---|
| InChI | InChI=1S/C42H54O24/c1-20(43)52-16-30-33(58-24(5)47)35(64-40-37(60-26(7)49)34(59-25(6)48)32(57-23(4)46)31(63-40)17-53-21(2)44)36(39(62-30)54-15-29-13-11-10-12-14-29)65-41-38(61-27(8)50)42(19-56-41,66-28(9)51)18-55-22(3)45/h10-14,30-41H,15-19H2,1-9H3/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+/m1/s1 |
| InChIKey | BILUDXKNXQENSH-WDUWZCMXSA-N |
| Mol Weight | 942.9 g/mol |
| Molecular Formula | C42H54O24 |
| Exact Mass | 942.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nAkDMponHV |
|---|---|
| Name | BENZYLALCOHOL-O-(2'-O-BETA-APIOFURANOSYL-3'-O-BETA-D-GLUCOPYRANOSYL)-BETA-GLUCOPYRANOSIDE-PERACETATE |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O24 |
| InChI | InChI=1S/C42H54O24/c1-20(43)52-16-30-33(58-24(5)47)35(64-40-37(60-26(7)49)34(59-25(6)48)32(57-23(4)46)31(63-40)17-53-21(2)44)36(39(62-30)54-15-29-13-11-10-12-14-29)65-41-38(61-27(8)50)42(19-56-41,66-28(9)51)18-55-22(3)45/h10-14,30-41H,15-19H2,1-9H3/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+/m1/s1 |
| InChIKey | BILUDXKNXQENSH-WDUWZCMXSA-N |
| Literature Reference Author | H.KIJIMA,T.IDE,H.OTSUKA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,44,1551(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00760-1 |
| Molecular Weight | 942.876 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWAN114 |