| SpectraBase Compound ID | GhBNY4I1dT5 |
|---|---|
| InChI | InChI=1S/C44H56O23/c1-2-22-23-14-30(48)58-11-10-20-5-8-25(62-42-36(54)34(52)31(49)27(15-45)63-42)26(13-20)61-21-6-3-19(4-7-21)9-12-59-40(57)24(23)18-60-41(22)67-44-38(56)39(33(51)29(17-47)65-44)66-43-37(55)35(53)32(50)28(16-46)64-43/h2-8,13,18,23,27-29,31-39,41-47,49-56H,9-12,14-17H2,1H3/b22-2-/t23-,27-,28-,29-,31-,32-,33-,34+,35+,36-,37-,38-,39+,41-,42-,43+,44+/m1/s1 |
| InChIKey | GVYVLJGVWQJAKN-GRCZHUPPSA-N |
| Mol Weight | 952.9 g/mol |
| Molecular Formula | C44H56O23 |
| Exact Mass | 952.321238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxB3pjPMCwC |
|---|---|
| Name | INSULAROSIDE-3',6'''-DI-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56O23 |
| InChI | InChI=1S/C44H56O23/c1-2-22-23-14-30(48)58-11-10-20-5-8-25(62-42-36(54)34(52)31(49)27(15-45)63-42)26(13-20)61-21-6-3-19(4-7-21)9-12-59-40(57)24(23)18-60-41(22)67-44-38(56)39(33(51)29(17-47)65-44)66-43-37(55)35(53)32(50)28(16-46)64-43/h2-8,13,18,23,27-29,31-39,41-47,49-56H,9-12,14-17H2,1H3/b22-2-/t23-,27-,28-,29-,31-,32-,33-,34+,35+,36-,37-,38-,39+,41-,42-,43+,44+/m1/s1 |
| InChIKey | GVYVLJGVWQJAKN-GRCZHUPPSA-N |
| Literature Reference Author | T.TANAHASHI,X.PARIDA,Y.TAKENAKA,N.NAGAKURA,K.INOUE,H.KUWAJIM A,C.C.CHEN |
| Literature Reference Citation | PHYTOCHEM.,49,1333(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00697-3 |
| Molecular Weight | 952.915 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU518 |