| SpectraBase Compound ID | 5UY6lAsDQfe |
|---|---|
| InChI | InChI=1S/C45H76O19/c1-19(17-58-40-37(54)34(51)31(48)27(15-46)61-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)60-42-39(56)36(53)33(50)29(63-42)18-59-41-38(55)35(52)32(49)28(16-47)62-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | XDJRIVOSNYPOEY-KMAQWHFVSA-N |
| Mol Weight | 921.1 g/mol |
| Molecular Formula | C45H76O19 |
| Exact Mass | 920.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzLlYdknL8h |
|---|---|
| Name | SARSAPARILLOSIDE-C;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUCOPYRANOSYL]-26-O-BETA-D-GLUCOPYRANOSYL-(25S)-5-BETA-FUROSTANE-3-BETA,22,26-TRIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O19 |
| InChI | InChI=1S/C45H76O19/c1-19(17-58-40-37(54)34(51)31(48)27(15-46)61-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)60-42-39(56)36(53)33(50)29(63-42)18-59-41-38(55)35(52)32(49)28(16-47)62-41/h19-42,46-57H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | XDJRIVOSNYPOEY-KMAQWHFVSA-N |
| Literature Reference Author | V.L.CHALLINOR,P.G.PARSONS,S.CHAP,E.F.WHITE,J.T.BLANCHFIELD,R .P.LEHMANN,J.J.DEVOS |
| Literature Reference Citation | STEROIDS,77,504(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.01.009 |
| Molecular Weight | 921.087 g/mol |
| Sample ID | 70599 |
| Solvent | C5D5N:D2O=9:1 |