| SpectraBase Compound ID | H5bWUieJV0M |
|---|---|
| InChI | InChI=1S/C45H74O19/c1-18(17-58-41-37(55)34(52)32(50)27(14-46)61-41)5-8-25-19(2)31-26(60-25)13-24-22-7-6-20-11-21(12-30(49)45(20,4)23(22)9-10-44(24,31)3)59-42-39(57)36(54)40(29(16-48)63-42)64-43-38(56)35(53)33(51)28(15-47)62-43/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20?,21+,22+,23-,24-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43+,44-,45-/m0/s1 |
| InChIKey | VVTFRFFQQDAFFP-BVORVFAUSA-N |
| Mol Weight | 919.1 g/mol |
| Molecular Formula | C45H74O19 |
| Exact Mass | 918.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fx2R0hGa1Fk |
|---|---|
| Name | (25S)-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-FUROST-1-BETA,3-BETA,26-TRIHYDROXY-20(22)-EN-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O19 |
| InChI | InChI=1S/C45H74O19/c1-18(17-58-41-37(55)34(52)32(50)27(14-46)61-41)5-8-25-19(2)31-26(60-25)13-24-22-7-6-20-11-21(12-30(49)45(20,4)23(22)9-10-44(24,31)3)59-42-39(57)36(54)40(29(16-48)63-42)64-43-38(56)35(53)33(51)28(15-47)62-43/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20?,21+,22+,23-,24-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43+,44-,45-/m0/s1 |
| InChIKey | VVTFRFFQQDAFFP-BVORVFAUSA-N |
| Literature Reference Author | C.X.LIU,Z.Y.GUO,Y.H.XUE,J.CHENG,N.Y.HUANG,Y.ZHOU,F.CHENG,K.Z OU |
| Literature Reference Citation | FITOTERAPIA,83,323(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2011.11.010 |
| Molecular Weight | 919.071 g/mol |
| Sample ID | 71796 |
| Solvent | C5D5N |